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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
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Naphthacenes (7)
1-hydroxylamino 2-unsubstituted benzenoids (3)
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Pentacenes (2)

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1 – 15 of 6,647 results
1

alpha-Naphtholbenzein

CAS: 145-50-6 Molecular Formula: C27H18O2 Molecular Weight (g/mol): 374.439 MDL Number: MFCD00078492 InChI Key: VDDWRTZCUJCDJM-PNHLSOANSA-N PubChem CID: 5941340 IUPAC Name: (4Z)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one SMILES: C1=CC=C(C=C1)C(=C2C=CC(=O)C3=CC=CC=C23)C4=CC=C(C5=CC=CC=C54)O

EDGE
PubChem CID 5941340
CAS 145-50-6
Molecular Weight (g/mol) 374.439
MDL Number MFCD00078492
SMILES C1=CC=C(C=C1)C(=C2C=CC(=O)C3=CC=CC=C23)C4=CC=C(C5=CC=CC=C54)O
IUPAC Name (4Z)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one
InChI Key VDDWRTZCUJCDJM-PNHLSOANSA-N
Molecular Formula C27H18O2
2

alpha,alpha-Dimethylphenylacetic acid

CAS: 826-55-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00014332 InChI Key: YYEROYLAYAVZNW-UHFFFAOYSA-N Synonym: 2-methyl-2-phenylpropionic acid,2-phenylisobutyric acid,alpha,alpha-dimethylphenylacetic acid,unii-dr8huh2gyk,dimethylphenylacetic acid,dr8huh2gyk,2-methyl-2-phenyl-propionic acid,hydratropic acid, .alpha.-methyl,benzeneacetic acid,.alpha.-dimethyl,propionic acid, 2-methyl-2-phenyl PubChem CID: 13222 IUPAC Name: 2-methyl-2-phenylpropanoic acid SMILES: CC(C)(C(O)=O)C1=CC=CC=C1

PubChem CID 13222
CAS 826-55-1
Molecular Weight (g/mol) 164.20
MDL Number MFCD00014332
SMILES CC(C)(C(O)=O)C1=CC=CC=C1
Synonym 2-methyl-2-phenylpropionic acid,2-phenylisobutyric acid,alpha,alpha-dimethylphenylacetic acid,unii-dr8huh2gyk,dimethylphenylacetic acid,dr8huh2gyk,2-methyl-2-phenyl-propionic acid,hydratropic acid, .alpha.-methyl,benzeneacetic acid,.alpha.-dimethyl,propionic acid, 2-methyl-2-phenyl
IUPAC Name 2-methyl-2-phenylpropanoic acid
InChI Key YYEROYLAYAVZNW-UHFFFAOYSA-N
Molecular Formula C10H12O2
3

alpha,alpha-Dimethylbenzylamine, 96%

CAS: 585-32-0 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00134680 InChI Key: KDFDOINBXBEOLZ-UHFFFAOYSA-N Synonym: cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine PubChem CID: 68509 IUPAC Name: 2-phenylpropan-2-amine SMILES: CC(C)(N)C1=CC=CC=C1

PubChem CID 68509
CAS 585-32-0
Molecular Weight (g/mol) 135.21
MDL Number MFCD00134680
SMILES CC(C)(N)C1=CC=CC=C1
Synonym cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine
IUPAC Name 2-phenylpropan-2-amine
InChI Key KDFDOINBXBEOLZ-UHFFFAOYSA-N
Molecular Formula C9H13N
4

alpha,alpha-Dichlorodiphenylmethane, 97%

CAS: 2051-90-3 Molecular Formula: C13H10Cl2 Molecular Weight (g/mol): 237.123 MDL Number: MFCD00000811 InChI Key: OPTDDWCXQQYKGU-UHFFFAOYSA-N Synonym: dichlorodiphenylmethane,diphenyldichloromethane,dpm halocarbon,benzophenone dichloride,alpha,alpha-dichlorodiphenylmethane,benzene, 1,1'-dichloromethylene bis,methane, dichlorodiphenyl,dichlorodiphenyl methane,dichloro phenyl methyl benzene,unii-81fez29ak6 PubChem CID: 16327 IUPAC Name: [dichloro(phenyl)methyl]benzene SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(Cl)Cl

PubChem CID 16327
CAS 2051-90-3
Molecular Weight (g/mol) 237.123
MDL Number MFCD00000811
SMILES C1=CC=C(C=C1)C(C2=CC=CC=C2)(Cl)Cl
Synonym dichlorodiphenylmethane,diphenyldichloromethane,dpm halocarbon,benzophenone dichloride,alpha,alpha-dichlorodiphenylmethane,benzene, 1,1'-dichloromethylene bis,methane, dichlorodiphenyl,dichlorodiphenyl methane,dichloro phenyl methyl benzene,unii-81fez29ak6
IUPAC Name [dichloro(phenyl)methyl]benzene
InChI Key OPTDDWCXQQYKGU-UHFFFAOYSA-N
Molecular Formula C13H10Cl2
5

(S)-(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride, 98+%

CAS: 20445-33-4 Molecular Formula: C10H8ClF3O2 Molecular Weight (g/mol): 252.617 MDL Number: MFCD00067105 InChI Key: PAORVUMOXXAMPL-SECBINFHSA-N Synonym: s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,+-mtpa-cl,unii-472va70ul4,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,s-+-alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,s-+-a-methoxy-a-trifluoromethylphenylacetyl chloride,s-+-alpha-methoxy-alpha-trifluoromethylphenylacetylchloride,s-+-alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,+-mtpa chloride,+-mosher's chloride PubChem CID: 2724611 IUPAC Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride SMILES: COC(C1=CC=CC=C1)(C(=O)Cl)C(F)(F)F

PubChem CID 2724611
CAS 20445-33-4
Molecular Weight (g/mol) 252.617
MDL Number MFCD00067105
SMILES COC(C1=CC=CC=C1)(C(=O)Cl)C(F)(F)F
Synonym s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,+-mtpa-cl,unii-472va70ul4,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,s-+-alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,s-+-a-methoxy-a-trifluoromethylphenylacetyl chloride,s-+-alpha-methoxy-alpha-trifluoromethylphenylacetylchloride,s-+-alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,+-mtpa chloride,+-mosher's chloride
IUPAC Name (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride
InChI Key PAORVUMOXXAMPL-SECBINFHSA-N
Molecular Formula C10H8ClF3O2
6

alpha-Asarone

CAS: 2883-98-9 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD00064457 InChI Key: RKFAZBXYICVSKP-AATRIKPKSA-N Synonym: alpha-asarone,asarone,trans-isoasarone,trans-asarone,asaron,azaron,etherophenol,trans-isoasaron,e-asarone,asarum camphor PubChem CID: 636822 ChEBI: CHEBI:78309 IUPAC Name: 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene SMILES: CC=CC1=CC(=C(C=C1OC)OC)OC

PubChem CID 636822
CAS 2883-98-9
Molecular Weight (g/mol) 208.257
ChEBI CHEBI:78309
MDL Number MFCD00064457
SMILES CC=CC1=CC(=C(C=C1OC)OC)OC
Synonym alpha-asarone,asarone,trans-isoasarone,trans-asarone,asaron,azaron,etherophenol,trans-isoasaron,e-asarone,asarum camphor
IUPAC Name 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
InChI Key RKFAZBXYICVSKP-AATRIKPKSA-N
Molecular Formula C12H16O3
7

alpha-Naphtholphthalein

CAS: 596-01-0 Molecular Formula: C28H18O4 Molecular Weight (g/mol): 418.448 MDL Number: MFCD00036202 InChI Key: HQHBAGKIEAOSNM-UHFFFAOYSA-N Synonym: alpha-naphtholphthalein,naphtholphthalein,1-naphtholphthalein,a-naphtholphthalein,3,3-bis 4-hydroxynaphthalen-1-yl isobenzofuran-1 3h-one,unii-2qeg1706nn,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-1-naphthalenyl,naphtholphthalein blue,alpha-naphtholphtalein,3,3-bis 4-hydroxy-1-naphthyl phthalide PubChem CID: 68993 IUPAC Name: 3,3-bis(4-hydroxynaphthalen-1-yl)-2-benzofuran-1-one SMILES: C1=CC=C2C(=C1)C(=CC=C2O)C3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C6=CC=CC=C65)O

PubChem CID 68993
CAS 596-01-0
Molecular Weight (g/mol) 418.448
MDL Number MFCD00036202
SMILES C1=CC=C2C(=C1)C(=CC=C2O)C3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C6=CC=CC=C65)O
Synonym alpha-naphtholphthalein,naphtholphthalein,1-naphtholphthalein,a-naphtholphthalein,3,3-bis 4-hydroxynaphthalen-1-yl isobenzofuran-1 3h-one,unii-2qeg1706nn,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-1-naphthalenyl,naphtholphthalein blue,alpha-naphtholphtalein,3,3-bis 4-hydroxy-1-naphthyl phthalide
IUPAC Name 3,3-bis(4-hydroxynaphthalen-1-yl)-2-benzofuran-1-one
InChI Key HQHBAGKIEAOSNM-UHFFFAOYSA-N
Molecular Formula C28H18O4
8

4-Chloro-alpha,alpha-dimethylphenylacetic acid, 98%

CAS: 6258-30-6 Molecular Formula: C10H11ClO2 Molecular Weight (g/mol): 198.646 MDL Number: MFCD00044814 InChI Key: SSFDAZXGUKDEAH-UHFFFAOYSA-N Synonym: 2-4-chlorophenyl-2-methylpropanoic acid,2-4-chlorophenyl-2-methylpropionic acid,4-chloro-alpha,alpha-dimethylphenylacetic acid,2-p-chlorophenyl-2-methylpropionic acid,4-chloro-.alpha.,.alpha.-dimethylphenylacetic acid,acmc-1bhp2,p-chlorophenylisobutyric acid,2-methyl-2-4-chlorophenyl propanoic acid,4-chloro-a,a-dimethylphenylacetic acid,2-4-chloro phenyl-2-methylpropanoic acid PubChem CID: 80406 IUPAC Name: 2-(4-chlorophenyl)-2-methylpropanoic acid SMILES: CC(C)(C1=CC=C(C=C1)Cl)C(=O)O

PubChem CID 80406
CAS 6258-30-6
Molecular Weight (g/mol) 198.646
MDL Number MFCD00044814
SMILES CC(C)(C1=CC=C(C=C1)Cl)C(=O)O
Synonym 2-4-chlorophenyl-2-methylpropanoic acid,2-4-chlorophenyl-2-methylpropionic acid,4-chloro-alpha,alpha-dimethylphenylacetic acid,2-p-chlorophenyl-2-methylpropionic acid,4-chloro-.alpha.,.alpha.-dimethylphenylacetic acid,acmc-1bhp2,p-chlorophenylisobutyric acid,2-methyl-2-4-chlorophenyl propanoic acid,4-chloro-a,a-dimethylphenylacetic acid,2-4-chloro phenyl-2-methylpropanoic acid
IUPAC Name 2-(4-chlorophenyl)-2-methylpropanoic acid
InChI Key SSFDAZXGUKDEAH-UHFFFAOYSA-N
Molecular Formula C10H11ClO2
9

(R)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride, 98+%

CAS: 39637-99-5 Molecular Formula: C10H8ClF3O2 Molecular Weight (g/mol): 252.62 MDL Number: MFCD00044400 InChI Key: PAORVUMOXXAMPL-VIFPVBQESA-N Synonym: unii-81ut10uhv3,r---mtpa-cl,--alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,r---a-methoxy-a-trifluoromethylphenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,--mtpa-cl,--mosher's acid chloride PubChem CID: 3080792 IUPAC Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride SMILES: CO[C@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F

PubChem CID 3080792
CAS 39637-99-5
Molecular Weight (g/mol) 252.62
MDL Number MFCD00044400
SMILES CO[C@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F
Synonym unii-81ut10uhv3,r---mtpa-cl,--alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,r---a-methoxy-a-trifluoromethylphenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,--mtpa-cl,--mosher's acid chloride
IUPAC Name (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride
InChI Key PAORVUMOXXAMPL-VIFPVBQESA-N
Molecular Formula C10H8ClF3O2
10

(R)-(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, 99%

CAS: 20445-31-2 Molecular Formula: C10H9F3O3 Molecular Weight (g/mol): 234.17 MDL Number: MFCD00004184 InChI Key: JJYKJUXBWFATTE-UHFFFAOYNA-N PubChem CID: 2723917 SMILES: COC(C(O)=O)(C1=CC=CC=C1)C(F)(F)F

PubChem CID 2723917
CAS 20445-31-2
Molecular Weight (g/mol) 234.17
MDL Number MFCD00004184
SMILES COC(C(O)=O)(C1=CC=CC=C1)C(F)(F)F
InChI Key JJYKJUXBWFATTE-UHFFFAOYNA-N
Molecular Formula C10H9F3O3
11

1,3,5-Trimethoxybenzene, 99%

CAS: 621-23-8 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 MDL Number: MFCD00008385 InChI Key: LKUDPHPHKOZXCD-UHFFFAOYSA-N Synonym: phloroglucinol trimethyl ether,sym-trimethoxybenzene,benzene, 1,3,5-trimethoxy,1,3,5-trimethyoxybenzene,unii-00vji3vg3d,1,3,5-trimethoxy benzene,o,o,o-1,3,5-trimethylresorcinol,00vji3vg3d,dsstox_cid_25963,dsstox_rid_81259 PubChem CID: 69301 ChEBI: CHEBI:31038 IUPAC Name: 1,3,5-trimethoxybenzene SMILES: COC1=CC(OC)=CC(OC)=C1

EDGE
PubChem CID 69301
CAS 621-23-8
Molecular Weight (g/mol) 168.19
ChEBI CHEBI:31038
MDL Number MFCD00008385
SMILES COC1=CC(OC)=CC(OC)=C1
Synonym phloroglucinol trimethyl ether,sym-trimethoxybenzene,benzene, 1,3,5-trimethoxy,1,3,5-trimethyoxybenzene,unii-00vji3vg3d,1,3,5-trimethoxy benzene,o,o,o-1,3,5-trimethylresorcinol,00vji3vg3d,dsstox_cid_25963,dsstox_rid_81259
IUPAC Name 1,3,5-trimethoxybenzene
InChI Key LKUDPHPHKOZXCD-UHFFFAOYSA-N
Molecular Formula C9H12O3
12

(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, 99%

CAS: 17257-71-5 Molecular Formula: C10H8F3O3 Molecular Weight (g/mol): 233.17 MDL Number: MFCD00064200 InChI Key: JJYKJUXBWFATTE-VIFPVBQESA-M Synonym: s---alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--mosher's acid,--mtpa,unii-172hcj1iqv,172hcj1iqv,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s---mtpa,--a-methoxy-a-trifluoromethylphenylacetic acid PubChem CID: 6992788 IUPAC Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid SMILES: CO[C@](C([O-])=O)(C1=CC=CC=C1)C(F)(F)F

PubChem CID 6992788
CAS 17257-71-5
Molecular Weight (g/mol) 233.17
MDL Number MFCD00064200
SMILES CO[C@](C([O-])=O)(C1=CC=CC=C1)C(F)(F)F
Synonym s---alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--mosher's acid,--mtpa,unii-172hcj1iqv,172hcj1iqv,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s---mtpa,--a-methoxy-a-trifluoromethylphenylacetic acid
IUPAC Name (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid
InChI Key JJYKJUXBWFATTE-VIFPVBQESA-M
Molecular Formula C10H8F3O3
13

Sodium salicylate, 99%

CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

EDGE
PubChem CID 16760658
CAS 54-21-7
Molecular Weight (g/mol) 160.104
ChEBI CHEBI:9180
MDL Number MFCD00002440
SMILES C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Synonym sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
IUPAC Name sodium;2-hydroxybenzoate
InChI Key ABBQHOQBGMUPJH-UHFFFAOYSA-M
Molecular Formula C7H5NaO3
14

Lanolin, Thermo Scientific Chemicals

CAS: 8006-54-0 MDL Number: MFCD00081740 Synonym: dmt-2'o-tbdms-rc ac phosphoramidite,dmt-2'o-tbdms-rc ac phosphoramidite, configured for abi,dmt-2'o-tbdms-rc ac phosphoramidite, configured for mermade,ac-c-ce phosphoramidite,dmt-2'o-tbdms-rc ac amidite,dmt-2'o-tbdms-rc ac pharmadite r,dmt-2'o-tbdms-rc ac phosphoramidite, configured for ??kta r and oligopilot r,dmt-2'o-tbdms-rc ac phosphoramidite, configured for perkinelmer, configured for polygen,dmt-2'o-tbdms-rc ac phosphoramidite, configured for polygen, configured for perkinelmer

EDGE
CAS 8006-54-0
MDL Number MFCD00081740
Synonym dmt-2'o-tbdms-rc ac phosphoramidite,dmt-2'o-tbdms-rc ac phosphoramidite, configured for abi,dmt-2'o-tbdms-rc ac phosphoramidite, configured for mermade,ac-c-ce phosphoramidite,dmt-2'o-tbdms-rc ac amidite,dmt-2'o-tbdms-rc ac pharmadite r,dmt-2'o-tbdms-rc ac phosphoramidite, configured for ??kta r and oligopilot r,dmt-2'o-tbdms-rc ac phosphoramidite, configured for perkinelmer, configured for polygen,dmt-2'o-tbdms-rc ac phosphoramidite, configured for polygen, configured for perkinelmer
15

(E)-alpha-Methylstilbene, 98%

CAS: 833-81-8 Molecular Formula: C15H14 Molecular Weight (g/mol): 194.277 MDL Number: MFCD00026343 InChI Key: OVZXISBUYCEVEV-OUKQBFOZSA-N Synonym: 1,2-diphenylpropene,e-alpha-methylstilbene,.alpha.-methylstilbene,1,2-diphenyl-1-propene,1-methyl-1,2-diphenylethene,stilbene, .alpha.-methyl,1-propene, 1,2-diphenyl,1-methyl-2-phenylvinyl benzene,trans-alpha-methylstilbene,chembl14773 PubChem CID: 1549166 IUPAC Name: [(E)-1-phenylprop-1-en-2-yl]benzene SMILES: CC(=CC1=CC=CC=C1)C2=CC=CC=C2

PubChem CID 1549166
CAS 833-81-8
Molecular Weight (g/mol) 194.277
MDL Number MFCD00026343
SMILES CC(=CC1=CC=CC=C1)C2=CC=CC=C2
Synonym 1,2-diphenylpropene,e-alpha-methylstilbene,.alpha.-methylstilbene,1,2-diphenyl-1-propene,1-methyl-1,2-diphenylethene,stilbene, .alpha.-methyl,1-propene, 1,2-diphenyl,1-methyl-2-phenylvinyl benzene,trans-alpha-methylstilbene,chembl14773
IUPAC Name [(E)-1-phenylprop-1-en-2-yl]benzene
InChI Key OVZXISBUYCEVEV-OUKQBFOZSA-N
Molecular Formula C15H14