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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3,001 – 3,015 of 158,802 results

3,001

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2-Nitrophenol, 98%

CAS: 88-75-5 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00011688 InChI Key: IQUPABOKLQSFBK-UHFFFAOYSA-N Synonym: o-nitrophenol,2-hydroxynitrobenzene,phenol, 2-nitro,o-hydroxynitrobenzene,phenol, o-nitro,nitrophenol,o-nitrofenol,ortho-nitrophenol,phenol, nitro,o-nitrofenol czech PubChem CID: 6947 ChEBI: CHEBI:16260 IUPAC Name: 2-nitrophenol SMILES: OC1=CC=CC=C1[N+]([O-])=O

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PubChem CID	6947
CAS	88-75-5
Molecular Weight (g/mol)	139.11
ChEBI	CHEBI:16260
MDL Number	MFCD00011688
SMILES	OC1=CC=CC=C1[N+]([O-])=O
Synonym	o-nitrophenol,2-hydroxynitrobenzene,phenol, 2-nitro,o-hydroxynitrobenzene,phenol, o-nitro,nitrophenol,o-nitrofenol,ortho-nitrophenol,phenol, nitro,o-nitrofenol czech
IUPAC Name	2-nitrophenol
InChI Key	IQUPABOKLQSFBK-UHFFFAOYSA-N
Molecular Formula	C6H5NO3

3,002

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Methyl 3-(2-hydroxyphenyl)propionate, 97%

CAS: 20349-89-7 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00067757 InChI Key: YHXYRISRGHSPNV-UHFFFAOYSA-N Synonym: methyl 3-2-hydroxyphenyl propanoate,methyl 3-2-hydroxyphenyl propionate,methyl melilotate,acmc-20aki4,methyl hydroxy-benzenepropionate,methyl 2'-hydroxyhydrocinnamate,methyl 3-hydroxyphenyl propionate,methyl 3 2-hydroxyphenyl propanoate,2-hydroxybenzenepropanoic acid methyl ester,3-2-hydroxyphenyl propionic acid methyl ester PubChem CID: 2794569 IUPAC Name: methyl 3-(2-hydroxyphenyl)propanoate SMILES: COC(=O)CCC1=CC=CC=C1O

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PubChem CID	2794569
CAS	20349-89-7
Molecular Weight (g/mol)	180.203
MDL Number	MFCD00067757
SMILES	COC(=O)CCC1=CC=CC=C1O
Synonym	methyl 3-2-hydroxyphenyl propanoate,methyl 3-2-hydroxyphenyl propionate,methyl melilotate,acmc-20aki4,methyl hydroxy-benzenepropionate,methyl 2'-hydroxyhydrocinnamate,methyl 3-hydroxyphenyl propionate,methyl 3 2-hydroxyphenyl propanoate,2-hydroxybenzenepropanoic acid methyl ester,3-2-hydroxyphenyl propionic acid methyl ester
IUPAC Name	methyl 3-(2-hydroxyphenyl)propanoate
InChI Key	YHXYRISRGHSPNV-UHFFFAOYSA-N
Molecular Formula	C10H12O3

3,003

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Calix[6]arene, 98%

CAS: 96107-95-8 Molecular Formula: C42H36O6 Molecular Weight (g/mol): 636.744 MDL Number: MFCD00143083 InChI Key: JLSWUKWFQCVKCL-UHFFFAOYSA-N Synonym: calix 6 arene,hexahydroxycalix 6 arene PubChem CID: 2724885 SMILES: C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=CC=CC(=C5O)CC6=CC=CC(=C6O)CC7=CC=CC1=C7O)O)O)O

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Specifications

PubChem CID	2724885
CAS	96107-95-8
Molecular Weight (g/mol)	636.744
MDL Number	MFCD00143083
SMILES	C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=CC=CC(=C5O)CC6=CC=CC(=C6O)CC7=CC=CC1=C7O)O)O)O
Synonym	calix 6 arene,hexahydroxycalix 6 arene
InChI Key	JLSWUKWFQCVKCL-UHFFFAOYSA-N
Molecular Formula	C42H36O6

3,004

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L(-)-Phenylephrine hydrochloride, 99%

CAS: 61-76-7 Molecular Formula: C9H14ClNO2 Molecular Weight (g/mol): 203.67 MDL Number: MFCD00012605,MFCD00044749 InChI Key: OCYSGIYOVXAGKQ-UHFFFAOYNA-N Synonym: phenylephrine hydrochloride,phenylephrine hcl,l-phenylephrine hydrochloride,metaoxedrine chloride,neosympatol,synethenate,almefrin,consdrin,emagrin,fenilfar PubChem CID: 5284443 ChEBI: CHEBI:8094 IUPAC Name: 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride SMILES: [H+].[Cl-].CNCC(O)C1=CC=CC(O)=C1

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PubChem CID	5284443
CAS	61-76-7
Molecular Weight (g/mol)	203.67
ChEBI	CHEBI:8094
MDL Number	MFCD00012605,MFCD00044749
SMILES	[H+].[Cl-].CNCC(O)C1=CC=CC(O)=C1
Synonym	phenylephrine hydrochloride,phenylephrine hcl,l-phenylephrine hydrochloride,metaoxedrine chloride,neosympatol,synethenate,almefrin,consdrin,emagrin,fenilfar
IUPAC Name	3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
InChI Key	OCYSGIYOVXAGKQ-UHFFFAOYNA-N
Molecular Formula	C9H14ClNO2

3,005

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2,6-Dimethoxyphenol, 99%

CAS: 91-10-1 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00064434 InChI Key: KLIDCXVFHGNTTM-UHFFFAOYSA-N Synonym: syringol,pyrogallol 1,3-dimethyl ether,1,3-dimethyl pyrogallate,phenol, 2,6-dimethoxy,2-hydroxy-1,3-dimethoxybenzene,1,3-di-o-methylpyrogallol,1,3-dimethoxy-2-hydroxybenzene,2,6-dimethoxy-phenol,pyrogallol dimethylether,2,6-dwumetoksyfenol PubChem CID: 7041 ChEBI: CHEBI:955 IUPAC Name: 2,6-dimethoxyphenol SMILES: COC1=CC=CC(OC)=C1O

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PubChem CID	7041
CAS	91-10-1
Molecular Weight (g/mol)	154.17
ChEBI	CHEBI:955
MDL Number	MFCD00064434
SMILES	COC1=CC=CC(OC)=C1O
Synonym	syringol,pyrogallol 1,3-dimethyl ether,1,3-dimethyl pyrogallate,phenol, 2,6-dimethoxy,2-hydroxy-1,3-dimethoxybenzene,1,3-di-o-methylpyrogallol,1,3-dimethoxy-2-hydroxybenzene,2,6-dimethoxy-phenol,pyrogallol dimethylether,2,6-dwumetoksyfenol
IUPAC Name	2,6-dimethoxyphenol
InChI Key	KLIDCXVFHGNTTM-UHFFFAOYSA-N
Molecular Formula	C8H10O3

3,006

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3-Methoxyphenol, 97%

CAS: 150-19-6 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00002267 InChI Key: ASHGTJPOSUFTGB-UHFFFAOYSA-N Synonym: m-methoxyphenol,3-hydroxyanisole,m-hydroxyanisole,phenol, 3-methoxy,m-guaiacol,resorcinol monomethyl ether,resorcinol methyl ether,1-hydroxy-3-methoxybenzene,phenol, m-methoxy,3-methoxy phenol PubChem CID: 9007 ChEBI: CHEBI:52678 IUPAC Name: 3-methoxyphenol SMILES: COC1=CC=CC(=C1)O

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PubChem CID	9007
CAS	150-19-6
Molecular Weight (g/mol)	124.139
ChEBI	CHEBI:52678
MDL Number	MFCD00002267
SMILES	COC1=CC=CC(=C1)O
Synonym	m-methoxyphenol,3-hydroxyanisole,m-hydroxyanisole,phenol, 3-methoxy,m-guaiacol,resorcinol monomethyl ether,resorcinol methyl ether,1-hydroxy-3-methoxybenzene,phenol, m-methoxy,3-methoxy phenol
IUPAC Name	3-methoxyphenol
InChI Key	ASHGTJPOSUFTGB-UHFFFAOYSA-N
Molecular Formula	C7H8O2

3,007

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3-Hydroxybenzoic acid, 99%

CAS: 99-06-9 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00002506 InChI Key: IJFXRHURBJZNAO-UHFFFAOYSA-N Synonym: m-hydroxybenzoic acid,m-salicylic acid,3-carboxyphenol,benzoic acid, 3-hydroxy,m-hba,3-hydroxybenzoate,benzoic acid, m-hydroxy,acido m-idrossibenzoico,meta-hydroxybenzoic acid,kyselina 3-hydroxybenzoova PubChem CID: 7420 ChEBI: CHEBI:30764 IUPAC Name: 3-hydroxybenzoic acid SMILES: OC(=O)C1=CC=CC(O)=C1

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PubChem CID	7420
CAS	99-06-9
Molecular Weight (g/mol)	138.12
ChEBI	CHEBI:30764
MDL Number	MFCD00002506
SMILES	OC(=O)C1=CC=CC(O)=C1
Synonym	m-hydroxybenzoic acid,m-salicylic acid,3-carboxyphenol,benzoic acid, 3-hydroxy,m-hba,3-hydroxybenzoate,benzoic acid, m-hydroxy,acido m-idrossibenzoico,meta-hydroxybenzoic acid,kyselina 3-hydroxybenzoova
IUPAC Name	3-hydroxybenzoic acid
InChI Key	IJFXRHURBJZNAO-UHFFFAOYSA-N
Molecular Formula	C7H6O3

3,008

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2,3-Dimethoxyphenol, 99%

CAS: 5150-42-5 Molecular Formula: C₈H₁₀O₃ Molecular Weight (g/mol): 154.17 MDL Number: MFCD00008366 InChI Key: QSZCGGBDNYTQHH-UHFFFAOYSA-N Synonym: dimethoxyphenol,phenol, dimethoxy,unii-ow147i6c84,1-hydroxy-2,3-dimethoxybenzene,pyrogallol 1,2-dimethyl ether,phenol, 2,3-dimethoxy,phenol,3-dimethoxy,2,3-di-methoxyphenol,2,3-dim ethoxyphenol,2,3-dimethoxy phenol PubChem CID: 78828 IUPAC Name: 2,3-dimethoxyphenol SMILES: COC1=CC=CC(=C1OC)O

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PubChem CID	78828
CAS	5150-42-5
Molecular Weight (g/mol)	154.17
MDL Number	MFCD00008366
SMILES	COC1=CC=CC(=C1OC)O
Synonym	dimethoxyphenol,phenol, dimethoxy,unii-ow147i6c84,1-hydroxy-2,3-dimethoxybenzene,pyrogallol 1,2-dimethyl ether,phenol, 2,3-dimethoxy,phenol,3-dimethoxy,2,3-di-methoxyphenol,2,3-dim ethoxyphenol,2,3-dimethoxy phenol
IUPAC Name	2,3-dimethoxyphenol
InChI Key	QSZCGGBDNYTQHH-UHFFFAOYSA-N
Molecular Formula	C₈H₁₀O₃

3,009

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2-Isopropylphenyl isocyanate, 97%

CAS: 56309-56-9 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 MDL Number: MFCD00013850 InChI Key: MWBSQVPLYJZPTG-UHFFFAOYSA-N Synonym: 2-isopropylphenyl isocyanate,1-isocyanato-2-isopropylbenzene,o-isopropylphenyl isocyanate,2-isopropylphenylisocyanate,1-isocyanato-2-propan-2-yl benzene,1-isocyanato-2-isopropyl-benzene,2-methylethyl benzenisocyanate,acmc-1avxp,isopropylphenyl isocyanate PubChem CID: 91797 IUPAC Name: 1-isocyanato-2-propan-2-ylbenzene SMILES: CC(C)C1=CC=CC=C1N=C=O

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PubChem CID	91797
CAS	56309-56-9
Molecular Weight (g/mol)	161.204
MDL Number	MFCD00013850
SMILES	CC(C)C1=CC=CC=C1N=C=O
Synonym	2-isopropylphenyl isocyanate,1-isocyanato-2-isopropylbenzene,o-isopropylphenyl isocyanate,2-isopropylphenylisocyanate,1-isocyanato-2-propan-2-yl benzene,1-isocyanato-2-isopropyl-benzene,2-methylethyl benzenisocyanate,acmc-1avxp,isopropylphenyl isocyanate
IUPAC Name	1-isocyanato-2-propan-2-ylbenzene
InChI Key	MWBSQVPLYJZPTG-UHFFFAOYSA-N
Molecular Formula	C10H11NO

3,010

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4-Isopropylphenol, 98%

CAS: 99-89-8 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002372 InChI Key: YQUQWHNMBPIWGK-UHFFFAOYSA-N Synonym: 4-isopropylphenol,p-isopropylphenol,p-cumenol,australol,phenol, 4-1-methylethyl,4-1-methylethyl phenol,1-hydroxy-4-isopropylbenzene,4-propan-2-yl phenol,phenol, p-isopropyl,para-isopropylphenol PubChem CID: 7465 IUPAC Name: 4-propan-2-ylphenol SMILES: CC(C)C1=CC=C(C=C1)O

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PubChem CID	7465
CAS	99-89-8
Molecular Weight (g/mol)	136.194
MDL Number	MFCD00002372
SMILES	CC(C)C1=CC=C(C=C1)O
Synonym	4-isopropylphenol,p-isopropylphenol,p-cumenol,australol,phenol, 4-1-methylethyl,4-1-methylethyl phenol,1-hydroxy-4-isopropylbenzene,4-propan-2-yl phenol,phenol, p-isopropyl,para-isopropylphenol
IUPAC Name	4-propan-2-ylphenol
InChI Key	YQUQWHNMBPIWGK-UHFFFAOYSA-N
Molecular Formula	C9H12O

3,011

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4-Isopropylanisole, 95%

CAS: 4132-48-3 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00015033 InChI Key: JULZQKLZSNOEEJ-UHFFFAOYSA-N Synonym: 4-isopropylanisole,1-isopropyl-4-methoxybenzene,4-methoxycumene,p-isopropylanisole,anisole, p-isopropyl,2-4-methoxyphenyl propane,benzene, 1-methoxy-4-1-methylethyl,1-methoxy-4-propan-2-yl benzene,p-methoxycumene,p-methoxyisopropylbenzene PubChem CID: 77783 IUPAC Name: 1-methoxy-4-propan-2-ylbenzene SMILES: COC1=CC=C(C=C1)C(C)C

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PubChem CID	77783
CAS	4132-48-3
Molecular Weight (g/mol)	150.22
MDL Number	MFCD00015033
SMILES	COC1=CC=C(C=C1)C(C)C
Synonym	4-isopropylanisole,1-isopropyl-4-methoxybenzene,4-methoxycumene,p-isopropylanisole,anisole, p-isopropyl,2-4-methoxyphenyl propane,benzene, 1-methoxy-4-1-methylethyl,1-methoxy-4-propan-2-yl benzene,p-methoxycumene,p-methoxyisopropylbenzene
IUPAC Name	1-methoxy-4-propan-2-ylbenzene
InChI Key	JULZQKLZSNOEEJ-UHFFFAOYSA-N
Molecular Formula	C10H14O

3,012

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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

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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

3,013

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2-Isopropylanisole, 98%

CAS: 2944-47-0 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00798590 InChI Key: NNZRVXTXKISCGS-UHFFFAOYSA-N Synonym: 1-isopropyl-2-methoxybenzene,2-isopropylanisole,o-isopropylanisole,anisole, o-isopropyl,benzene, 1-methoxy-2-1-methylethyl,2-o-methoxyphenyl propane,1-methoxy-2-propan-2-yl benzene,isopropylanisol,isopropyl anisole,acmc-20ansj PubChem CID: 270623 IUPAC Name: 1-methoxy-2-propan-2-ylbenzene SMILES: CC(C)C1=CC=CC=C1OC

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PubChem CID	270623
CAS	2944-47-0
Molecular Weight (g/mol)	150.221
MDL Number	MFCD00798590
SMILES	CC(C)C1=CC=CC=C1OC
Synonym	1-isopropyl-2-methoxybenzene,2-isopropylanisole,o-isopropylanisole,anisole, o-isopropyl,benzene, 1-methoxy-2-1-methylethyl,2-o-methoxyphenyl propane,1-methoxy-2-propan-2-yl benzene,isopropylanisol,isopropyl anisole,acmc-20ansj
IUPAC Name	1-methoxy-2-propan-2-ylbenzene
InChI Key	NNZRVXTXKISCGS-UHFFFAOYSA-N
Molecular Formula	C10H14O

3,014

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2,6-Diisopropyl-N,N-dimethylaniline, 96%

CAS: 2909-77-5 Molecular Formula: C14H23N Molecular Weight (g/mol): 205.345 MDL Number: MFCD00144978 InChI Key: ALXIOUGHHXXLKX-UHFFFAOYSA-N Synonym: 2,6-diisopropyl-n,n-dimethylaniline,n,n-dimethyl-2,6-diisopropylaniline,benzenamine, n,n-dimethyl-2,6-bis 1-methylethyl,2,6-diisopropyl-n,n-dimethyl-aniline,acmc-20ao8g,2,6-bis methylethyl phenyl dimethylamine,n,n-dimethyl-2,6-di propan-2-yl aniline,benzenamine,n,n-dimethyl-2,6-bis 1-methylethyl PubChem CID: 76198 IUPAC Name: N,N-dimethyl-2,6-di(propan-2-yl)aniline SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N(C)C

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Specifications

PubChem CID	76198
CAS	2909-77-5
Molecular Weight (g/mol)	205.345
MDL Number	MFCD00144978
SMILES	CC(C)C1=C(C(=CC=C1)C(C)C)N(C)C
Synonym	2,6-diisopropyl-n,n-dimethylaniline,n,n-dimethyl-2,6-diisopropylaniline,benzenamine, n,n-dimethyl-2,6-bis 1-methylethyl,2,6-diisopropyl-n,n-dimethyl-aniline,acmc-20ao8g,2,6-bis methylethyl phenyl dimethylamine,n,n-dimethyl-2,6-di propan-2-yl aniline,benzenamine,n,n-dimethyl-2,6-bis 1-methylethyl
IUPAC Name	N,N-dimethyl-2,6-di(propan-2-yl)aniline
InChI Key	ALXIOUGHHXXLKX-UHFFFAOYSA-N
Molecular Formula	C14H23N

3,015

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5-Isopropyl-2-methoxybenzeneboronic acid, 98+%

CAS: 216393-63-4 Molecular Formula: C10H15BO3 Molecular Weight (g/mol): 194.037 MDL Number: MFCD01318154 InChI Key: UTKAEAGLVJFBMK-UHFFFAOYSA-N Synonym: 5-isopropyl-2-methoxyphenylboronic acid,5-isopropyl-2-methoxyphenyl boronic acid,5-isopropyl-2-methoxybenzeneboronic acid,boronic acid, 2-methoxy-5-1-methylethyl phenyl,2-methoxy-5-propan-2-ylphenyl boronic acid,2-methoxy-5-1-methylethyl phenyl boronic acid,2-methoxy-5-propan-2-yl phenyl boronic acid,acmc-1cp8q,2-methoxy-5-propan-2-yl-phenyl boronic acid,5-isopropyl-2-methoxyphenyl boronicacid PubChem CID: 4589190 IUPAC Name: (2-methoxy-5-propan-2-ylphenyl)boronic acid SMILES: B(C1=C(C=CC(=C1)C(C)C)OC)(O)O

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PubChem CID	4589190
CAS	216393-63-4
Molecular Weight (g/mol)	194.037
MDL Number	MFCD01318154
SMILES	B(C1=C(C=CC(=C1)C(C)C)OC)(O)O
Synonym	5-isopropyl-2-methoxyphenylboronic acid,5-isopropyl-2-methoxyphenyl boronic acid,5-isopropyl-2-methoxybenzeneboronic acid,boronic acid, 2-methoxy-5-1-methylethyl phenyl,2-methoxy-5-propan-2-ylphenyl boronic acid,2-methoxy-5-1-methylethyl phenyl boronic acid,2-methoxy-5-propan-2-yl phenyl boronic acid,acmc-1cp8q,2-methoxy-5-propan-2-yl-phenyl boronic acid,5-isopropyl-2-methoxyphenyl boronicacid
IUPAC Name	(2-methoxy-5-propan-2-ylphenyl)boronic acid
InChI Key	UTKAEAGLVJFBMK-UHFFFAOYSA-N
Molecular Formula	C10H15BO3

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