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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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Dibenzocycloheptenes (43)
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Naphthacenes (12)
Naphthalenes (569)
Pentacenequinones (2)
Pentacenes (4)
Phenanthrenes and derivatives (61)
Phenol esters (166)
Pyrenes (62)
Tetralins (225)
Thiophenols (233)
Triphenyl compounds (150)
Unsubstituted Phenols (1,158)
Benzene and substituted derivatives (22,669)
Phenols (1,608)

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1 – 15 of 11,078 results
1

2-Phenoxyethanol, 99%

CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00002857 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Synonym: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO

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PubChem CID 31236
CAS 122-99-6
Molecular Weight (g/mol) 138.17
ChEBI CHEBI:64275
MDL Number MFCD00002857
SMILES C1=CC=C(C=C1)OCCO
Synonym phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane
IUPAC Name 2-phenoxyethanol
InChI Key QCDWFXQBSFUVSP-UHFFFAOYSA-N
Molecular Formula C8H10O2
2

2-Phenoxyethanol, 94%

CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00002857 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Synonym: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO

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PubChem CID 31236
CAS 122-99-6
Molecular Weight (g/mol) 138.166
ChEBI CHEBI:64275
MDL Number MFCD00002857
SMILES C1=CC=C(C=C1)OCCO
Synonym phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane
IUPAC Name 2-phenoxyethanol
InChI Key QCDWFXQBSFUVSP-UHFFFAOYSA-N
Molecular Formula C8H10O2
3

2-Tetralone, 99%

CAS: 530-93-8 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.189 MDL Number: MFCD00001727 InChI Key: KCKZIWSINLBROE-UHFFFAOYSA-N Synonym: 2-tetralone,beta-tetralone,1,2,3,4-tetrahydro-2-naphthalenone,3,4-dihydronaphthalen-2 1h-one,1,2,3,4-tetrahydronaphthalen-2-one,2 1h-naphthalenone, 3,4-dihydro,.beta.-tetralone,tetralin-2-one,3,4-dihydro-2 1h-naphthalenone,3,4-dihydro-2-oxonaphthalene PubChem CID: 68266 IUPAC Name: 3,4-dihydro-1H-naphthalen-2-one SMILES: C1CC2=CC=CC=C2CC1=O

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PubChem CID 68266
CAS 530-93-8
Molecular Weight (g/mol) 146.189
MDL Number MFCD00001727
SMILES C1CC2=CC=CC=C2CC1=O
Synonym 2-tetralone,beta-tetralone,1,2,3,4-tetrahydro-2-naphthalenone,3,4-dihydronaphthalen-2 1h-one,1,2,3,4-tetrahydronaphthalen-2-one,2 1h-naphthalenone, 3,4-dihydro,.beta.-tetralone,tetralin-2-one,3,4-dihydro-2 1h-naphthalenone,3,4-dihydro-2-oxonaphthalene
IUPAC Name 3,4-dihydro-1H-naphthalen-2-one
InChI Key KCKZIWSINLBROE-UHFFFAOYSA-N
Molecular Formula C10H10O
4

2-Methyl-1,4-naphthoquinone, 98%

CAS: 58-27-5 Molecular Formula: C11H8O2 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00001681 InChI Key: MJVAVZPDRWSRRC-UHFFFAOYSA-N Synonym: menadione,vitamin k3,2-methyl-1,4-naphthoquinone,menaphthone,2-methylnaphthoquinone,thyloquinone,kappaxin,kayquinone,klottone,panosine PubChem CID: 4055 ChEBI: CHEBI:28869 IUPAC Name: 2-methylnaphthalene-1,4-dione SMILES: CC1=CC(=O)C2=CC=CC=C2C1=O

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PubChem CID 4055
CAS 58-27-5
Molecular Weight (g/mol) 172.18
ChEBI CHEBI:28869
MDL Number MFCD00001681
SMILES CC1=CC(=O)C2=CC=CC=C2C1=O
Synonym menadione,vitamin k3,2-methyl-1,4-naphthoquinone,menaphthone,2-methylnaphthoquinone,thyloquinone,kappaxin,kayquinone,klottone,panosine
IUPAC Name 2-methylnaphthalene-1,4-dione
InChI Key MJVAVZPDRWSRRC-UHFFFAOYSA-N
Molecular Formula C11H8O2
5

5,5'-Dithiobis(2-nitrobenzoic acid), 99%

CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O

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PubChem CID 6254
CAS 69-78-3
Molecular Weight (g/mol) 396.34
ChEBI CHEBI:86228
MDL Number MFCD00007140
SMILES OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
Synonym dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid
IUPAC Name 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
InChI Key KIUMMUBSPKGMOY-UHFFFAOYSA-N
Molecular Formula C14H8N2O8S2
6

Bis(2-ethylhexyl) terephthalate, 97%

CAS: 6422-86-2 Molecular Formula: C24H38O4 Molecular Weight (g/mol): 390.55 MDL Number: MFCD00072256 InChI Key: RWPICVVBGZBXNA-UHFFFAOYSA-N Synonym: bis 2-ethylhexyl terephthalate,kodaflex dotp,di-2-ethylhexyl terephthalate,1,4-benzenedicarboxylic acid, bis 2-ethylhexyl ester,terephthalic acid, bis 2-ethylhexyl ester,eastman 168,ccris 7052,di 2-ethylhexyl terephthalate,bis 2-ethylhexyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-bis 2-ethylhexyl ester PubChem CID: 22932 IUPAC Name: bis(2-ethylhexyl) benzene-1,4-dicarboxylate SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC

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PubChem CID 22932
CAS 6422-86-2
Molecular Weight (g/mol) 390.55
MDL Number MFCD00072256
SMILES CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC
Synonym bis 2-ethylhexyl terephthalate,kodaflex dotp,di-2-ethylhexyl terephthalate,1,4-benzenedicarboxylic acid, bis 2-ethylhexyl ester,terephthalic acid, bis 2-ethylhexyl ester,eastman 168,ccris 7052,di 2-ethylhexyl terephthalate,bis 2-ethylhexyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-bis 2-ethylhexyl ester
IUPAC Name bis(2-ethylhexyl) benzene-1,4-dicarboxylate
InChI Key RWPICVVBGZBXNA-UHFFFAOYSA-N
Molecular Formula C24H38O4
7

2-Iodobenzoic acid, 98%

CAS: 88-67-5 Molecular Formula: C7H5IO2 Molecular Weight (g/mol): 248.01 InChI Key: CJNZAXGUTKBIHP-UHFFFAOYSA-N Synonym: o-iodobenzoic acid,benzoic acid, 2-iodo,iodobenzoic acid,benzoic acid, o-iodo,usaf ek-572,2-iodo benzoic acid,2-iodo-benzoic acid,benzoic acid, iodo,kyselina o-jodbenzoova,o-jod-benzoesaeure PubChem CID: 6941 ChEBI: CHEBI:287979 IUPAC Name: 2-iodobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)I

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PubChem CID 6941
CAS 88-67-5
Molecular Weight (g/mol) 248.01
ChEBI CHEBI:287979
SMILES C1=CC=C(C(=C1)C(=O)O)I
Synonym o-iodobenzoic acid,benzoic acid, 2-iodo,iodobenzoic acid,benzoic acid, o-iodo,usaf ek-572,2-iodo benzoic acid,2-iodo-benzoic acid,benzoic acid, iodo,kyselina o-jodbenzoova,o-jod-benzoesaeure
IUPAC Name 2-iodobenzoic acid
InChI Key CJNZAXGUTKBIHP-UHFFFAOYSA-N
Molecular Formula C7H5IO2
8

2-Hydroxy-4-methoxybenzophenone, 98+%

CAS: 131-57-7 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.247 MDL Number: MFCD00008387 InChI Key: DXGLGDHPHMLXJC-UHFFFAOYSA-N Synonym: oxybenzone,2-hydroxy-4-methoxybenzophenone,benzophenone-3,oxybenzon,4-methoxy-2-hydroxybenzophenone,2-benzoyl-5-methoxyphenol,oxibenzona,oxybenzonum,2-hydroxy-4-methoxyphenyl phenyl methanone,anuvex PubChem CID: 4632 ChEBI: CHEBI:34283 IUPAC Name: (2-hydroxy-4-methoxyphenyl)-phenylmethanone SMILES: COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O

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PubChem CID 4632
CAS 131-57-7
Molecular Weight (g/mol) 228.247
ChEBI CHEBI:34283
MDL Number MFCD00008387
SMILES COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
Synonym oxybenzone,2-hydroxy-4-methoxybenzophenone,benzophenone-3,oxybenzon,4-methoxy-2-hydroxybenzophenone,2-benzoyl-5-methoxyphenol,oxibenzona,oxybenzonum,2-hydroxy-4-methoxyphenyl phenyl methanone,anuvex
IUPAC Name (2-hydroxy-4-methoxyphenyl)-phenylmethanone
InChI Key DXGLGDHPHMLXJC-UHFFFAOYSA-N
Molecular Formula C14H12O3
9

2-Chlorothiophenol, 98%

CAS: 6320-03-2 Molecular Formula: C6H5ClS Molecular Weight (g/mol): 144.62 MDL Number: MFCD00004830 InChI Key: PWOBDMNCYMQTCE-UHFFFAOYSA-N Synonym: 2-chlorothiophenol,o-chlorothiophenol,benzenethiol, 2-chloro,1-chloro-2-mercaptobenzene,o-chlorobenzenethiol,o-chloromercaptobenzene,chlorothiophenol,benzenethiol, o-chloro,2-chlorobenzene-1-thiol,2-chloro thiophenol PubChem CID: 80599 IUPAC Name: 2-chlorobenzenethiol SMILES: C1=CC=C(C(=C1)S)Cl

PubChem CID 80599
CAS 6320-03-2
Molecular Weight (g/mol) 144.62
MDL Number MFCD00004830
SMILES C1=CC=C(C(=C1)S)Cl
Synonym 2-chlorothiophenol,o-chlorothiophenol,benzenethiol, 2-chloro,1-chloro-2-mercaptobenzene,o-chlorobenzenethiol,o-chloromercaptobenzene,chlorothiophenol,benzenethiol, o-chloro,2-chlorobenzene-1-thiol,2-chloro thiophenol
IUPAC Name 2-chlorobenzenethiol
InChI Key PWOBDMNCYMQTCE-UHFFFAOYSA-N
Molecular Formula C6H5ClS
10

2-Phenyl-2-propanol, 99%

CAS: 617-94-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00004456 InChI Key: BDCFWIDZNLCTMF-UHFFFAOYSA-N Synonym: 2-phenyl-2-propanol,dimethylphenylcarbinol,1-hydroxycumene,dimethylphenylmethanol,alpha-cumyl alcohol,phenyldimethylcarbinol,2-propanol, 2-phenyl,2-phenylisopropanol,alpha,alpha-dimethylbenzyl alcohol,2-phenyl-propan-2-ol PubChem CID: 12053 IUPAC Name: 2-phenylpropan-2-ol SMILES: CC(C)(O)C1=CC=CC=C1

PubChem CID 12053
CAS 617-94-7
Molecular Weight (g/mol) 136.19
MDL Number MFCD00004456
SMILES CC(C)(O)C1=CC=CC=C1
Synonym 2-phenyl-2-propanol,dimethylphenylcarbinol,1-hydroxycumene,dimethylphenylmethanol,alpha-cumyl alcohol,phenyldimethylcarbinol,2-propanol, 2-phenyl,2-phenylisopropanol,alpha,alpha-dimethylbenzyl alcohol,2-phenyl-propan-2-ol
IUPAC Name 2-phenylpropan-2-ol
InChI Key BDCFWIDZNLCTMF-UHFFFAOYSA-N
Molecular Formula C9H12O
11

2-Fluorotoluene, 99+%

CAS: 95-52-3 Molecular Formula: C7H7F Molecular Weight (g/mol): 110.131 MDL Number: MFCD00000322 InChI Key: MMZYCBHLNZVROM-UHFFFAOYSA-N Synonym: 2-fluorotoluene,o-fluorotoluene,benzene, 1-fluoro-2-methyl,toluene, o-fluoro,1-methyl-2-fluorobenzene,unii-l55xkb3k7h,1-fluoro-2-methyl-benzene,ortho-fluorotoluene,fluorotoluene,l55xkb3k7h PubChem CID: 7241 IUPAC Name: 1-fluoro-2-methylbenzene SMILES: CC1=CC=CC=C1F

PubChem CID 7241
CAS 95-52-3
Molecular Weight (g/mol) 110.131
MDL Number MFCD00000322
SMILES CC1=CC=CC=C1F
Synonym 2-fluorotoluene,o-fluorotoluene,benzene, 1-fluoro-2-methyl,toluene, o-fluoro,1-methyl-2-fluorobenzene,unii-l55xkb3k7h,1-fluoro-2-methyl-benzene,ortho-fluorotoluene,fluorotoluene,l55xkb3k7h
IUPAC Name 1-fluoro-2-methylbenzene
InChI Key MMZYCBHLNZVROM-UHFFFAOYSA-N
Molecular Formula C7H7F
12

2-Methylhydroquinone, 99%

CAS: 95-71-6 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00002345 InChI Key: CNHDIAIOKMXOLK-UHFFFAOYSA-N Synonym: methylhydroquinone,2-methylhydroquinone,2,5-dihydroxytoluene,p-toluhydroquinone,toluhydroquinone,toluquinol,p-toluquinol,tolylhydroquinone,p-toluhydroquinol,2,5-toluenediol PubChem CID: 7253 IUPAC Name: 2-methylbenzene-1,4-diol SMILES: CC1=CC(O)=CC=C1O

PubChem CID 7253
CAS 95-71-6
Molecular Weight (g/mol) 124.14
MDL Number MFCD00002345
SMILES CC1=CC(O)=CC=C1O
Synonym methylhydroquinone,2-methylhydroquinone,2,5-dihydroxytoluene,p-toluhydroquinone,toluhydroquinone,toluquinol,p-toluquinol,tolylhydroquinone,p-toluhydroquinol,2,5-toluenediol
IUPAC Name 2-methylbenzene-1,4-diol
InChI Key CNHDIAIOKMXOLK-UHFFFAOYSA-N
Molecular Formula C7H8O2
13

2-Isopropylphenol, 98+%

CAS: 88-69-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002224 InChI Key: CRBJBYGJVIBWIY-UHFFFAOYSA-N Synonym: 2-isopropylphenol,o-hydroxycumene,o-isopropylphenol,o-cumenol,1-hydroxy-2-isopropylbenzene,2-propan-2-yl phenol,2-1-methylethyl phenol,phenol, o-isopropyl,phenol, 2-1-methylethyl,isopropylphenol PubChem CID: 6943 ChEBI: CHEBI:38506 IUPAC Name: 2-propan-2-ylphenol SMILES: CC(C)C1=CC=CC=C1O

PubChem CID 6943
CAS 88-69-7
Molecular Weight (g/mol) 136.194
ChEBI CHEBI:38506
MDL Number MFCD00002224
SMILES CC(C)C1=CC=CC=C1O
Synonym 2-isopropylphenol,o-hydroxycumene,o-isopropylphenol,o-cumenol,1-hydroxy-2-isopropylbenzene,2-propan-2-yl phenol,2-1-methylethyl phenol,phenol, o-isopropyl,phenol, 2-1-methylethyl,isopropylphenol
IUPAC Name 2-propan-2-ylphenol
InChI Key CRBJBYGJVIBWIY-UHFFFAOYSA-N
Molecular Formula C9H12O
14

2-Chlorophenol, 98+%

CAS: 95-57-8 Molecular Formula: C6H5ClO Molecular Weight (g/mol): 128.56 MDL Number: MFCD00002159 InChI Key: ISPYQTSUDJAMAB-UHFFFAOYSA-N Synonym: o-chlorophenol,phenol, 2-chloro,2-hydroxychlorobenzene,o-chlorphenol,o-chlorophenic acid,phenol, o-chloro,2-chloro-1-hydroxybenzene,chlorophenol,septi-kleen,2-chloro-phenol PubChem CID: 7245 ChEBI: CHEBI:47083 IUPAC Name: 2-chlorophenol SMILES: C1=CC=C(C(=C1)O)Cl

PubChem CID 7245
CAS 95-57-8
Molecular Weight (g/mol) 128.56
ChEBI CHEBI:47083
MDL Number MFCD00002159
SMILES C1=CC=C(C(=C1)O)Cl
Synonym o-chlorophenol,phenol, 2-chloro,2-hydroxychlorobenzene,o-chlorphenol,o-chlorophenic acid,phenol, o-chloro,2-chloro-1-hydroxybenzene,chlorophenol,septi-kleen,2-chloro-phenol
IUPAC Name 2-chlorophenol
InChI Key ISPYQTSUDJAMAB-UHFFFAOYSA-N
Molecular Formula C6H5ClO
15

2-Chloronaphthalene, 99%

CAS: 91-58-7 Molecular Formula: C10H7Cl Molecular Weight (g/mol): 162.62 MDL Number: MFCD00035731 InChI Key: CGYGETOMCSJHJU-UHFFFAOYSA-N Synonym: naphthalene, 2-chloro,2-chloro naphthalene,beta-chloronaphthalene,halowax,2-chlornaftalen,rcra waste number u047,2-chloro-naphthalene,.beta.-chloronaphthalene,2-chlornaftalen czech,unii-49o81u3iti PubChem CID: 7056 IUPAC Name: 2-chloronaphthalene SMILES: C1=CC=C2C=C(C=CC2=C1)Cl

PubChem CID 7056
CAS 91-58-7
Molecular Weight (g/mol) 162.62
MDL Number MFCD00035731
SMILES C1=CC=C2C=C(C=CC2=C1)Cl
Synonym naphthalene, 2-chloro,2-chloro naphthalene,beta-chloronaphthalene,halowax,2-chlornaftalen,rcra waste number u047,2-chloro-naphthalene,.beta.-chloronaphthalene,2-chlornaftalen czech,unii-49o81u3iti
IUPAC Name 2-chloronaphthalene
InChI Key CGYGETOMCSJHJU-UHFFFAOYSA-N
Molecular Formula C10H7Cl