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

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-Methoxybenzyl mercaptan, 98%

CAS: 6258-60-2 Molecular Formula: C8H10OS Molecular Weight (g/mol): 154.23 MDL Number: MFCD00004871 InChI Key: PTDVPWWJRCOIIO-UHFFFAOYSA-N Synonym: 4-methoxybenzyl mercaptan,4-methoxy-alpha-toluenethiol,4-methoxybenzylmercaptan,4-methoxyphenyl methanethiol,4-methoxy benzylmercaptan,4-methoxybenzenemethanethiol,benzenemethanethiol, 4-methoxy,p-methoxybenzyl mercaptan,p-methoxybenzylthiol,p-methoxybenzylmercaptan PubChem CID: 80407 IUPAC Name: (4-methoxyphenyl)methanethiol SMILES: COC1=CC=C(CS)C=C1

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PubChem CID	80407
CAS	6258-60-2
Molecular Weight (g/mol)	154.23
MDL Number	MFCD00004871
SMILES	COC1=CC=C(CS)C=C1
Synonym	4-methoxybenzyl mercaptan,4-methoxy-alpha-toluenethiol,4-methoxybenzylmercaptan,4-methoxyphenyl methanethiol,4-methoxy benzylmercaptan,4-methoxybenzenemethanethiol,benzenemethanethiol, 4-methoxy,p-methoxybenzyl mercaptan,p-methoxybenzylthiol,p-methoxybenzylmercaptan
IUPAC Name	(4-methoxyphenyl)methanethiol
InChI Key	PTDVPWWJRCOIIO-UHFFFAOYSA-N
Molecular Formula	C8H10OS

1,2,4-Trimethoxybenzene, 98%

CAS: 135-77-3 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00008360 InChI Key: AGIQIOSHSMJYJP-UHFFFAOYSA-N Synonym: benzene, 1,2,4-trimethoxy,unii-3ku3wd07ss,epa pesticide chemical code 040515,3ku3wd07ss,hydroxyhydroquinone trimethyl ether,2,4,5-trimethoxybenzene,acmc-1br3s,1,3,4-trimethoxy benzene,dsstox_cid_15163,dsstox_rid_79243 PubChem CID: 67284 IUPAC Name: 1,2,4-trimethoxybenzene SMILES: COC1=CC(=C(C=C1)OC)OC

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PubChem CID	67284
CAS	135-77-3
Molecular Weight (g/mol)	168.192
MDL Number	MFCD00008360
SMILES	COC1=CC(=C(C=C1)OC)OC
Synonym	benzene, 1,2,4-trimethoxy,unii-3ku3wd07ss,epa pesticide chemical code 040515,3ku3wd07ss,hydroxyhydroquinone trimethyl ether,2,4,5-trimethoxybenzene,acmc-1br3s,1,3,4-trimethoxy benzene,dsstox_cid_15163,dsstox_rid_79243
IUPAC Name	1,2,4-trimethoxybenzene
InChI Key	AGIQIOSHSMJYJP-UHFFFAOYSA-N
Molecular Formula	C9H12O3

2,4,6-Trimethoxybenzonitrile, 98%

CAS: 2571-54-2 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 MDL Number: MFCD00001787 InChI Key: GBRHJUMDNWLSCT-UHFFFAOYSA-N PubChem CID: 75731 IUPAC Name: 2,4,6-trimethoxybenzonitrile SMILES: COC1=CC(=C(C(=C1)OC)C#N)OC

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PubChem CID	75731
CAS	2571-54-2
Molecular Weight (g/mol)	193.202
MDL Number	MFCD00001787
SMILES	COC1=CC(=C(C(=C1)OC)C#N)OC
IUPAC Name	2,4,6-trimethoxybenzonitrile
InChI Key	GBRHJUMDNWLSCT-UHFFFAOYSA-N
Molecular Formula	C10H11NO3

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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

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

2,4,6-Trimethoxytoluene, 97%

CAS: 14107-97-2 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.219 MDL Number: MFCD00008375 InChI Key: TZPKFPYZCMHDHL-UHFFFAOYSA-N PubChem CID: 84201 IUPAC Name: 1,3,5-trimethoxy-2-methylbenzene SMILES: CC1=C(C=C(C=C1OC)OC)OC

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PubChem CID	84201
CAS	14107-97-2
Molecular Weight (g/mol)	182.219
MDL Number	MFCD00008375
SMILES	CC1=C(C=C(C=C1OC)OC)OC
IUPAC Name	1,3,5-trimethoxy-2-methylbenzene
InChI Key	TZPKFPYZCMHDHL-UHFFFAOYSA-N
Molecular Formula	C10H14O3

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-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

4-Allylanisole, 98%

CAS: 140-67-0 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00008653 InChI Key: ZFMSMUAANRJZFM-UHFFFAOYSA-N Synonym: estragole,4-allylanisole,p-allylanisole,tarragon,methyl chavicol,1-allyl-4-methoxybenzene,estragol,esdragol,esdragole,esdragon PubChem CID: 8815 ChEBI: CHEBI:4867 IUPAC Name: 1-methoxy-4-prop-2-enylbenzene SMILES: COC1=CC=C(C=C1)CC=C

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PubChem CID	8815
CAS	140-67-0
Molecular Weight (g/mol)	148.205
ChEBI	CHEBI:4867
MDL Number	MFCD00008653
SMILES	COC1=CC=C(C=C1)CC=C
Synonym	estragole,4-allylanisole,p-allylanisole,tarragon,methyl chavicol,1-allyl-4-methoxybenzene,estragol,esdragol,esdragole,esdragon
IUPAC Name	1-methoxy-4-prop-2-enylbenzene
InChI Key	ZFMSMUAANRJZFM-UHFFFAOYSA-N
Molecular Formula	C10H12O

Methoxybenzenes

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