Methoxybenzenes

Organic compounds that consist of a phenyl group with a methoxy functional group substitution; a methoxy group has an oxygen atom bonded to a methyl group.

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Eugenol, 99%

CAS: 97-53-0 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008654 InChI Key: RRAFCDWBNXTKKO-UHFFFAOYSA-N Synonym: eugenol,4-allylguaiacol,4-allyl-2-methoxyphenol,eugenic acid,allylguaiacol,caryophyllic acid,p-allylguaiacol,p-eugenol,2-methoxy-4-allylphenol,engenol PubChem CID: 3314 ChEBI: CHEBI:4917 SMILES: COC1=CC(CC=C)=CC=C1O

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PubChem CID	3314
CAS	97-53-0
Molecular Weight (g/mol)	164.20
ChEBI	CHEBI:4917
MDL Number	MFCD00008654
SMILES	COC1=CC(CC=C)=CC=C1O
Synonym	eugenol,4-allylguaiacol,4-allyl-2-methoxyphenol,eugenic acid,allylguaiacol,caryophyllic acid,p-allylguaiacol,p-eugenol,2-methoxy-4-allylphenol,engenol
InChI Key	RRAFCDWBNXTKKO-UHFFFAOYSA-N
Molecular Formula	C10H12O2

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

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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

Anisole, 99%, pure

CAS: 100-66-3 Molecular Formula: C₇H₈O Molecular Weight (g/mol): 108.14 InChI Key: RDOXTESZEPMUJZ-UHFFFAOYSA-N Synonym: methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene PubChem CID: 7519 ChEBI: CHEBI:16579 IUPAC Name: anisole SMILES: COC1=CC=CC=C1

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PubChem CID	7519
CAS	100-66-3
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:16579
SMILES	COC1=CC=CC=C1
Synonym	methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene
IUPAC Name	anisole
InChI Key	RDOXTESZEPMUJZ-UHFFFAOYSA-N
Molecular Formula	C₇H₈O

PubChem CID	7519
CAS	100-66-3
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:16579
SMILES	COC1=CC=CC=C1
Synonym	methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene
IUPAC Name	anisole
InChI Key	RDOXTESZEPMUJZ-UHFFFAOYSA-N
Molecular Formula	C₇H₈O

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Anisole, 99%

CAS: 100-66-3 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00008354 InChI Key: RDOXTESZEPMUJZ-UHFFFAOYSA-N Synonym: methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene PubChem CID: 7519 ChEBI: CHEBI:16579 IUPAC Name: anisole SMILES: COC1=CC=CC=C1

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PubChem CID	7519
CAS	100-66-3
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:16579
MDL Number	MFCD00008354
SMILES	COC1=CC=CC=C1
Synonym	methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene
IUPAC Name	anisole
InChI Key	RDOXTESZEPMUJZ-UHFFFAOYSA-N
Molecular Formula	C7H8O

3,4,5-Trimethoxytoluene, 98%

CAS: 6443-69-2 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.219 MDL Number: MFCD00008397 InChI Key: KCIZTNZGSBSSRM-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxytoluene,benzene, 1,2,3-trimethoxy-5-methyl,5-methylpyrogallol trimethyl ether,1,2,3-trimethoxy-5-methyl-benzene,toluene, 3,4,5-trimethoxy,1,2,3-trimethoxy-5-methylbenzol,pubchem13665,acmc-209nm4,3,4,5-trimethoxy-toluene,3,4,5-trimethoxy toluene PubChem CID: 80922 ChEBI: CHEBI:81354 IUPAC Name: 1,2,3-trimethoxy-5-methylbenzene SMILES: CC1=CC(=C(C(=C1)OC)OC)OC

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PubChem CID	80922
CAS	6443-69-2
Molecular Weight (g/mol)	182.219
ChEBI	CHEBI:81354
MDL Number	MFCD00008397
SMILES	CC1=CC(=C(C(=C1)OC)OC)OC
Synonym	3,4,5-trimethoxytoluene,benzene, 1,2,3-trimethoxy-5-methyl,5-methylpyrogallol trimethyl ether,1,2,3-trimethoxy-5-methyl-benzene,toluene, 3,4,5-trimethoxy,1,2,3-trimethoxy-5-methylbenzol,pubchem13665,acmc-209nm4,3,4,5-trimethoxy-toluene,3,4,5-trimethoxy toluene
IUPAC Name	1,2,3-trimethoxy-5-methylbenzene
InChI Key	KCIZTNZGSBSSRM-UHFFFAOYSA-N
Molecular Formula	C10H14O3

3-Methoxyphenylacetic acid, 99.5%

CAS: 1798-09-0 Molecular Formula: C₉H₁₀O₃ Molecular Weight (g/mol): 166.18 MDL Number: MFCD00004334 InChI Key: LEGPZHPSIPPYIO-UHFFFAOYSA-N Synonym: 3-methoxyphenylacetic acid,2-3-methoxyphenyl acetic acid,m-methoxyphenylacetic acid,3-methoxyphenyl acetic acid,3-methoxybenzeneacetic acid,benzeneacetic acid, 3-methoxy,acetic acid, m-methoxyphenyl,unii-25xlo0t6my,3-methoxy-phenyl-acetic acid,25xlo0t6my PubChem CID: 15719 IUPAC Name: 2-(3-methoxyphenyl)acetic acid SMILES: COC1=CC=CC(=C1)CC(=O)O

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PubChem CID	15719
CAS	1798-09-0
Molecular Weight (g/mol)	166.18
MDL Number	MFCD00004334
SMILES	COC1=CC=CC(=C1)CC(=O)O
Synonym	3-methoxyphenylacetic acid,2-3-methoxyphenyl acetic acid,m-methoxyphenylacetic acid,3-methoxyphenyl acetic acid,3-methoxybenzeneacetic acid,benzeneacetic acid, 3-methoxy,acetic acid, m-methoxyphenyl,unii-25xlo0t6my,3-methoxy-phenyl-acetic acid,25xlo0t6my
IUPAC Name	2-(3-methoxyphenyl)acetic acid
InChI Key	LEGPZHPSIPPYIO-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₃

Eugenol, 99%

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PubChem CID	3314
CAS	97-53-0
Molecular Weight (g/mol)	164.20
ChEBI	CHEBI:4917
MDL Number	MFCD00008654
SMILES	COC1=CC(CC=C)=CC=C1O
Synonym	eugenol,4-allylguaiacol,4-allyl-2-methoxyphenol,eugenic acid,allylguaiacol,caryophyllic acid,p-allylguaiacol,p-eugenol,2-methoxy-4-allylphenol,engenol
IUPAC Name	2-methoxy-4-prop-2-enylphenol
InChI Key	RRAFCDWBNXTKKO-UHFFFAOYSA-N
Molecular Formula	C10H12O2

4-Methoxyphenyl chloroformate, 98%

CAS: 7693-41-6 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.591 MDL Number: MFCD00013258 InChI Key: CCFSGQKTSBIIHG-UHFFFAOYSA-N Synonym: 4-methoxyphenyl chloroformate,carbonochloridic acid, 4-methoxyphenyl ester,4-methoxyphenylchloroformate,chloroformic acid 4-methoxyphenyl ester,acmc-1bfyr,p-methoxyphenyl chloroformate,4-methoxy-phenyl chloroformate,4-methoxy phenyl chloroformate,4-methoxyphenyl carbonochloridate PubChem CID: 82128 IUPAC Name: (4-methoxyphenyl) carbonochloridate SMILES: COC1=CC=C(C=C1)OC(=O)Cl

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PubChem CID	82128
CAS	7693-41-6
Molecular Weight (g/mol)	186.591
MDL Number	MFCD00013258
SMILES	COC1=CC=C(C=C1)OC(=O)Cl
Synonym	4-methoxyphenyl chloroformate,carbonochloridic acid, 4-methoxyphenyl ester,4-methoxyphenylchloroformate,chloroformic acid 4-methoxyphenyl ester,acmc-1bfyr,p-methoxyphenyl chloroformate,4-methoxy-phenyl chloroformate,4-methoxy phenyl chloroformate,4-methoxyphenyl carbonochloridate
IUPAC Name	(4-methoxyphenyl) carbonochloridate
InChI Key	CCFSGQKTSBIIHG-UHFFFAOYSA-N
Molecular Formula	C8H7ClO3

4-Bromoanisole, 98%

CAS: 104-92-7 Molecular Formula: C₇H₇BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00000097 InChI Key: QJPJQTDYNZXKQF-UHFFFAOYSA-N Synonym: 4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide PubChem CID: 7730 ChEBI: CHEBI:47257 IUPAC Name: 1-bromo-4-methoxybenzene SMILES: COC1=CC=C(C=C1)Br

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PubChem CID	7730
CAS	104-92-7
Molecular Weight (g/mol)	187.04
ChEBI	CHEBI:47257
MDL Number	MFCD00000097
SMILES	COC1=CC=C(C=C1)Br
Synonym	4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide
IUPAC Name	1-bromo-4-methoxybenzene
InChI Key	QJPJQTDYNZXKQF-UHFFFAOYSA-N
Molecular Formula	C₇H₇BrO

4-Methoxyphenylacetic acid, 99%

CAS: 104-01-8 Molecular Formula: C₉H₁₀O₃ Molecular Weight (g/mol): 166.18 MDL Number: MFCD00004345 InChI Key: NRPFNQUDKRYCNX-UHFFFAOYSA-N Synonym: 4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid PubChem CID: 7690 ChEBI: CHEBI:55501 IUPAC Name: 2-(4-methoxyphenyl)acetic acid SMILES: COC1=CC=C(C=C1)CC(=O)O

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PubChem CID	7690
CAS	104-01-8
Molecular Weight (g/mol)	166.18
ChEBI	CHEBI:55501
MDL Number	MFCD00004345
SMILES	COC1=CC=C(C=C1)CC(=O)O
Synonym	4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid
IUPAC Name	2-(4-methoxyphenyl)acetic acid
InChI Key	NRPFNQUDKRYCNX-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₃

1,3,5-Trimethoxybenzene, 99%

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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

4-(4-Hydroxy-3-methoxyphenyl)-2-butanone, 97%

CAS: 122-48-5 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00048232 InChI Key: OJYLAHXKWMRDGS-UHFFFAOYSA-N Synonym: zingerone,vanillylacetone,zingiberone,4-4-hydroxy-3-methoxyphenyl butan-2-one,zingherone,4-4-hydroxy-3-methoxyphenyl-2-butanone,gingerone,vanillyl acetone,0-paradol,2-butanone, 4-4-hydroxy-3-methoxyphenyl PubChem CID: 31211 ChEBI: CHEBI:68657 IUPAC Name: 4-(4-hydroxy-3-methoxyphenyl)butan-2-one SMILES: CC(=O)CCC1=CC(=C(C=C1)O)OC

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PubChem CID	31211
CAS	122-48-5
Molecular Weight (g/mol)	194.23
ChEBI	CHEBI:68657
MDL Number	MFCD00048232
SMILES	CC(=O)CCC1=CC(=C(C=C1)O)OC
Synonym	zingerone,vanillylacetone,zingiberone,4-4-hydroxy-3-methoxyphenyl butan-2-one,zingherone,4-4-hydroxy-3-methoxyphenyl-2-butanone,gingerone,vanillyl acetone,0-paradol,2-butanone, 4-4-hydroxy-3-methoxyphenyl
IUPAC Name	4-(4-hydroxy-3-methoxyphenyl)butan-2-one
InChI Key	OJYLAHXKWMRDGS-UHFFFAOYSA-N
Molecular Formula	C11H14O3

4-Methoxybenzonitrile, 99%

CAS: 874-90-8 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00001818 InChI Key: XDJAAZYHCCRJOK-UHFFFAOYSA-N Synonym: anisonitrile,p-anisonitrile,4-cyanoanisole,benzonitrile, 4-methoxy,p-methoxybenzonitrile,4-anisonitrile,p-anisylnitrile,p-cyanoanisole,p-methoxyphenyl cyanide,4-methoxy benzonitrile PubChem CID: 70129 IUPAC Name: 4-methoxybenzonitrile SMILES: COC1=CC=C(C=C1)C#N

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PubChem CID	70129
CAS	874-90-8
Molecular Weight (g/mol)	133.15
MDL Number	MFCD00001818
SMILES	COC1=CC=C(C=C1)C#N
Synonym	anisonitrile,p-anisonitrile,4-cyanoanisole,benzonitrile, 4-methoxy,p-methoxybenzonitrile,4-anisonitrile,p-anisylnitrile,p-cyanoanisole,p-methoxyphenyl cyanide,4-methoxy benzonitrile
IUPAC Name	4-methoxybenzonitrile
InChI Key	XDJAAZYHCCRJOK-UHFFFAOYSA-N
Molecular Formula	C8H7NO

4-Methoxyphenylacetic acid, 98+%

CAS: 104-01-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00004345 InChI Key: NRPFNQUDKRYCNX-UHFFFAOYSA-N Synonym: 4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid PubChem CID: 7690 ChEBI: CHEBI:55501 IUPAC Name: 2-(4-methoxyphenyl)acetic acid SMILES: COC1=CC=C(C=C1)CC(=O)O

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PubChem CID	7690
CAS	104-01-8
Molecular Weight (g/mol)	166.176
ChEBI	CHEBI:55501
MDL Number	MFCD00004345
SMILES	COC1=CC=C(C=C1)CC(=O)O
Synonym	4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid
IUPAC Name	2-(4-methoxyphenyl)acetic acid
InChI Key	NRPFNQUDKRYCNX-UHFFFAOYSA-N
Molecular Formula	C9H10O3

Methoxybenzenes

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