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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9,316 – 9,330 of 78,418 results

9,316

Cy-vBRIDP(regR) 90.0+%, TCI America™

CAS: 384842-24-4 Molecular Formula: C27H35P Molecular Weight (g/mol): 390.551 MDL Number: MFCD10565627 InChI Key: YMSBPYCREGBACF-UHFFFAOYSA-N Synonym: Dicyclohexyl(1,1-diphenyl-1-propen-2-yl)phosphine PubChem CID: 12010824 IUPAC Name: dicyclohexyl(1,1-diphenylprop-1-en-2-yl)phosphane SMILES: CC(=C(C1=CC=CC=C1)C2=CC=CC=C2)P(C3CCCCC3)C4CCCCC4

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PubChem CID	12010824
CAS	384842-24-4
Molecular Weight (g/mol)	390.551
MDL Number	MFCD10565627
SMILES	CC(=C(C1=CC=CC=C1)C2=CC=CC=C2)P(C3CCCCC3)C4CCCCC4
Synonym	Dicyclohexyl(1,1-diphenyl-1-propen-2-yl)phosphine
IUPAC Name	dicyclohexyl(1,1-diphenylprop-1-en-2-yl)phosphane
InChI Key	YMSBPYCREGBACF-UHFFFAOYSA-N
Molecular Formula	C27H35P

9,317

2,4-Bis(alpha,alpha-dimethylbenzyl)phenol 97.0+%, TCI America™

CAS: 2772-45-4 Molecular Formula: C24H26O Molecular Weight (g/mol): 330.471 InChI Key: FMUYQRFTLHAARI-UHFFFAOYSA-N Synonym: 2,4-Di-alpha-cumylphenol PubChem CID: 76013 IUPAC Name: 2,4-bis(2-phenylpropan-2-yl)phenol SMILES: CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)(C)C3=CC=CC=C3

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Specifications

PubChem CID	76013
CAS	2772-45-4
Molecular Weight (g/mol)	330.471
SMILES	CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)(C)C3=CC=CC=C3
Synonym	2,4-Di-alpha-cumylphenol
IUPAC Name	2,4-bis(2-phenylpropan-2-yl)phenol
InChI Key	FMUYQRFTLHAARI-UHFFFAOYSA-N
Molecular Formula	C24H26O

9,318

Bis(4-diethylaminophenyl)methanol 98.0+%, TCI America™

CAS: 134-91-8 Molecular Formula: C21H30N2O Molecular Weight (g/mol): 326.484 MDL Number: MFCD00035979 InChI Key: WCIQBUVXZZYFJP-UHFFFAOYSA-N PubChem CID: 67257 IUPAC Name: bis[4-(diethylamino)phenyl]methanol SMILES: CCN(CC)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CC)CC)O

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Specifications

PubChem CID	67257
CAS	134-91-8
Molecular Weight (g/mol)	326.484
MDL Number	MFCD00035979
SMILES	CCN(CC)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CC)CC)O
IUPAC Name	bis[4-(diethylamino)phenyl]methanol
InChI Key	WCIQBUVXZZYFJP-UHFFFAOYSA-N
Molecular Formula	C21H30N2O

9,319

Phenylpyruvic Acid 93.0+%, TCI America™

CAS: 156-06-9 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00002589 InChI Key: BTNMPGBKDVTSJY-UHFFFAOYSA-N Synonym: phenylpyruvic acid,3-phenylpyruvic acid,phenylpyruvate,keto-phenylpyruvate,beta-phenylpyruvic acid,b-phenylpyruvic acid,pyruvic acid, phenyl,3-phenyl-2-oxopropanoate,alpha-ketohydrocinnamic acid,benzenepropanoic acid, .alpha.-oxo PubChem CID: 997 ChEBI: CHEBI:30851 IUPAC Name: 2-oxo-3-phenylpropanoic acid SMILES: OC(=O)C(=O)CC1=CC=CC=C1

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Specifications

PubChem CID	997
CAS	156-06-9
Molecular Weight (g/mol)	164.16
ChEBI	CHEBI:30851
MDL Number	MFCD00002589
SMILES	OC(=O)C(=O)CC1=CC=CC=C1
Synonym	phenylpyruvic acid,3-phenylpyruvic acid,phenylpyruvate,keto-phenylpyruvate,beta-phenylpyruvic acid,b-phenylpyruvic acid,pyruvic acid, phenyl,3-phenyl-2-oxopropanoate,alpha-ketohydrocinnamic acid,benzenepropanoic acid, .alpha.-oxo
IUPAC Name	2-oxo-3-phenylpropanoic acid
InChI Key	BTNMPGBKDVTSJY-UHFFFAOYSA-N
Molecular Formula	C9H8O3

9,320

4-Hydroxyphenylpyruvic Acid 95.0+%, TCI America™

CAS: 156-39-8 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00002591 InChI Key: KKADPXVIOXHVKN-UHFFFAOYSA-N Synonym: 4-hydroxyphenylpyruvic acid,testacid,3-4-hydroxyphenyl-2-oxopropanoic acid,p-hydroxyphenylpyruvic acid,testacide,4-hydroxyphenylpyruvate,3-4-hydroxyphenyl pyruvic acid,p-hydroxyphenyl pyruvic acid,3-p-hydroxyphenyl pyruvic acid,3-p-hydroxyphenyl-2-oxopropanoic acid PubChem CID: 979 ChEBI: CHEBI:15999 IUPAC Name: 3-(4-hydroxyphenyl)-2-oxopropanoic acid SMILES: C1=CC(=CC=C1CC(=O)C(=O)O)O

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PubChem CID	979
CAS	156-39-8
Molecular Weight (g/mol)	180.159
ChEBI	CHEBI:15999
MDL Number	MFCD00002591
SMILES	C1=CC(=CC=C1CC(=O)C(=O)O)O
Synonym	4-hydroxyphenylpyruvic acid,testacid,3-4-hydroxyphenyl-2-oxopropanoic acid,p-hydroxyphenylpyruvic acid,testacide,4-hydroxyphenylpyruvate,3-4-hydroxyphenyl pyruvic acid,p-hydroxyphenyl pyruvic acid,3-p-hydroxyphenyl pyruvic acid,3-p-hydroxyphenyl-2-oxopropanoic acid
IUPAC Name	3-(4-hydroxyphenyl)-2-oxopropanoic acid
InChI Key	KKADPXVIOXHVKN-UHFFFAOYSA-N
Molecular Formula	C9H8O4

9,321

2,3-Dimethylphenol 98.0+%, TCI America™

CAS: 526-75-0 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00002227 InChI Key: QWBBPBRQALCEIZ-UHFFFAOYSA-N Synonym: 1-hydroxy-2,3-dimethylbenzene,2,3-xylenol,dimethylphenol,xylenol,phenol, 2,3-dimethyl,o-xylenol,vic-o-xylenol,o-3-xylenol,xyellenol 100,2,3-dimethyl phenol PubChem CID: 10687 IUPAC Name: 2,3-dimethylphenol SMILES: CC1=C(C(=CC=C1)O)C

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Specifications

PubChem CID	10687
CAS	526-75-0
Molecular Weight (g/mol)	122.167
MDL Number	MFCD00002227
SMILES	CC1=C(C(=CC=C1)O)C
Synonym	1-hydroxy-2,3-dimethylbenzene,2,3-xylenol,dimethylphenol,xylenol,phenol, 2,3-dimethyl,o-xylenol,vic-o-xylenol,o-3-xylenol,xyellenol 100,2,3-dimethyl phenol
IUPAC Name	2,3-dimethylphenol
InChI Key	QWBBPBRQALCEIZ-UHFFFAOYSA-N
Molecular Formula	C8H10O

9,322

2-Amino-p-cresol 98.0+%, TCI America™

CAS: 95-84-1 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD00007699 InChI Key: ZMXYNJXDULEQCK-UHFFFAOYSA-N Synonym: 2-amino-p-cresol,2-hydroxy-5-methylaniline,phenol, 2-amino-4-methyl,3-amino-4-hydroxytoluene,6-hydroxy-m-toluidine,4-methyl-2-aminophenol,5-methyl-2-hydroxyaniline,2-amino-4-cresol,p-cresol, 2-amino,2-amino-4-methyl-phenol PubChem CID: 7264 IUPAC Name: 2-amino-4-methylphenol SMILES: CC1=CC=C(O)C(N)=C1

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Specifications

PubChem CID	7264
CAS	95-84-1
Molecular Weight (g/mol)	123.16
MDL Number	MFCD00007699
SMILES	CC1=CC=C(O)C(N)=C1
Synonym	2-amino-p-cresol,2-hydroxy-5-methylaniline,phenol, 2-amino-4-methyl,3-amino-4-hydroxytoluene,6-hydroxy-m-toluidine,4-methyl-2-aminophenol,5-methyl-2-hydroxyaniline,2-amino-4-cresol,p-cresol, 2-amino,2-amino-4-methyl-phenol
IUPAC Name	2-amino-4-methylphenol
InChI Key	ZMXYNJXDULEQCK-UHFFFAOYSA-N
Molecular Formula	C7H9NO

9,323

3-Nitro-p-cresol 98.0+%, TCI America™

CAS: 2042-14-0 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007244 InChI Key: BQEXDUKMTVYBRK-UHFFFAOYSA-N Synonym: 3-nitro-4-methylphenol,3-nitro-p-cresol,4-methyl-3-nitro-phenol,4-hydroxy-2-nitrotoluene,2-nitro-4-hydroxytoluene,phenol, 4-methyl-3-nitro,p-cresol, 3-nitro,unii-4b422hud6h,4-methyl-5-nitrophenol PubChem CID: 16271 IUPAC Name: 4-methyl-3-nitrophenol SMILES: CC1=C(C=C(C=C1)O)[N+](=O)[O-]

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Specifications

PubChem CID	16271
CAS	2042-14-0
Molecular Weight (g/mol)	153.137
MDL Number	MFCD00007244
SMILES	CC1=C(C=C(C=C1)O)[N+](=O)[O-]
Synonym	3-nitro-4-methylphenol,3-nitro-p-cresol,4-methyl-3-nitro-phenol,4-hydroxy-2-nitrotoluene,2-nitro-4-hydroxytoluene,phenol, 4-methyl-3-nitro,p-cresol, 3-nitro,unii-4b422hud6h,4-methyl-5-nitrophenol
IUPAC Name	4-methyl-3-nitrophenol
InChI Key	BQEXDUKMTVYBRK-UHFFFAOYSA-N
Molecular Formula	C7H7NO3

9,324

4-Hydroxy-3,5-dimethylbenzoic Acid 98.0+%, TCI America™

CAS: 4919-37-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00016536 InChI Key: OMNHTTWQSSUZHO-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-hydroxybenzoic acid,benzoic acid, 4-hydroxy-3,5-dimethyl,pubchem16247,acmc-209kf7,ksc496e2b,omnhttwqssuzho-uhfffaoysa,3.5-dimethyl-4-hydroxybenzoic acid,3,5-dimethyl-4-hydroxy-benzoic acid,4-hydroxy-3,5-dimethyl-benzoic acid PubChem CID: 138387 IUPAC Name: 4-hydroxy-3,5-dimethylbenzoic acid SMILES: CC1=CC(=CC(=C1O)C)C(=O)O

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PubChem CID	138387
CAS	4919-37-3
Molecular Weight (g/mol)	166.176
MDL Number	MFCD00016536
SMILES	CC1=CC(=CC(=C1O)C)C(=O)O
Synonym	3,5-dimethyl-4-hydroxybenzoic acid,benzoic acid, 4-hydroxy-3,5-dimethyl,pubchem16247,acmc-209kf7,ksc496e2b,omnhttwqssuzho-uhfffaoysa,3.5-dimethyl-4-hydroxybenzoic acid,3,5-dimethyl-4-hydroxy-benzoic acid,4-hydroxy-3,5-dimethyl-benzoic acid
IUPAC Name	4-hydroxy-3,5-dimethylbenzoic acid
InChI Key	OMNHTTWQSSUZHO-UHFFFAOYSA-N
Molecular Formula	C9H10O3

9,325

2-Ethyl-6-methylphenol 98.0+%, TCI America™

CAS: 1687-64-5 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00962292 InChI Key: CIRRFAQIWQFQSS-UHFFFAOYSA-N Synonym: phenol, 2-ethyl-6-methyl,o-cresol, 6-ethyl,6-ethyl-o-cresol,unii-359wuc62ri,2-ethyl-6-methyl-phenol,6-ethyl-2-methylphenol,acmc-20anwj,2-methyl-6-ethylphenol,2-ethyl-6-methyl phenol,phenol,2-ethyl-6-methyl PubChem CID: 519333 IUPAC Name: 2-ethyl-6-methylphenol SMILES: CCC1=CC=CC(=C1O)C

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PubChem CID	519333
CAS	1687-64-5
Molecular Weight (g/mol)	136.194
MDL Number	MFCD00962292
SMILES	CCC1=CC=CC(=C1O)C
Synonym	phenol, 2-ethyl-6-methyl,o-cresol, 6-ethyl,6-ethyl-o-cresol,unii-359wuc62ri,2-ethyl-6-methyl-phenol,6-ethyl-2-methylphenol,acmc-20anwj,2-methyl-6-ethylphenol,2-ethyl-6-methyl phenol,phenol,2-ethyl-6-methyl
IUPAC Name	2-ethyl-6-methylphenol
InChI Key	CIRRFAQIWQFQSS-UHFFFAOYSA-N
Molecular Formula	C9H12O

9,326

3,4-Dimethylphenol 98.0+%, TCI America™

CAS: 95-65-8 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00002304 InChI Key: YCOXTKKNXUZSKD-UHFFFAOYSA-N Synonym: 3,4-xylenol,phenol, 3,4-dimethyl,4,5-dimethylphenol,3,4-dimethyl phenol,1,3,4-xylenol,4-hydroxy-1,2-dimethylbenzene,1-hydroxy-3,4-dimethylbenzene,3,4-dimethyl-phenol,3,4-dmp,ccris 723 PubChem CID: 7249 ChEBI: CHEBI:39839 IUPAC Name: 3,4-dimethylphenol SMILES: CC1=CC=C(O)C=C1C

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Specifications

PubChem CID	7249
CAS	95-65-8
Molecular Weight (g/mol)	122.17
ChEBI	CHEBI:39839
MDL Number	MFCD00002304
SMILES	CC1=CC=C(O)C=C1C
Synonym	3,4-xylenol,phenol, 3,4-dimethyl,4,5-dimethylphenol,3,4-dimethyl phenol,1,3,4-xylenol,4-hydroxy-1,2-dimethylbenzene,1-hydroxy-3,4-dimethylbenzene,3,4-dimethyl-phenol,3,4-dmp,ccris 723
IUPAC Name	3,4-dimethylphenol
InChI Key	YCOXTKKNXUZSKD-UHFFFAOYSA-N
Molecular Formula	C8H10O

9,327

3-Hydroxy-2-methylbenzoic Acid 98.0+%, TCI America™

CAS: 603-80-5 Molecular Formula: C8H7O3 Molecular Weight (g/mol): 151.14 MDL Number: MFCD00671541 InChI Key: RIERSGULWXEJKL-UHFFFAOYSA-M Synonym: 3-hydroxy-o-toluic acid,3-hydroxy-2-methyl benzoic acid,3-hydroxy-2-methyl-benzoic acid,2-methyl-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-2-methyl,kresolsaure,3,2-cresotic acid,pubchem15694,3-carboxy-2-methylphenol,acmc-1b1jy PubChem CID: 252023 IUPAC Name: 3-hydroxy-2-methylbenzoate SMILES: CC1=C(O)C=CC=C1C([O-])=O

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PubChem CID	252023
CAS	603-80-5
Molecular Weight (g/mol)	151.14
MDL Number	MFCD00671541
SMILES	CC1=C(O)C=CC=C1C([O-])=O
Synonym	3-hydroxy-o-toluic acid,3-hydroxy-2-methyl benzoic acid,3-hydroxy-2-methyl-benzoic acid,2-methyl-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-2-methyl,kresolsaure,3,2-cresotic acid,pubchem15694,3-carboxy-2-methylphenol,acmc-1b1jy
IUPAC Name	3-hydroxy-2-methylbenzoate
InChI Key	RIERSGULWXEJKL-UHFFFAOYSA-M
Molecular Formula	C8H7O3

9,328

2,3,5,6-Tetrabromo-p-cresol 97.0+%, TCI America™

CAS: 37721-75-8 Molecular Formula: C7H4Br4O Molecular Weight (g/mol): 423.72 MDL Number: MFCD00060318 InChI Key: OMVMKSWFUQZIFD-UHFFFAOYSA-N PubChem CID: 458139 IUPAC Name: 2,3,5,6-tetrabromo-4-methylphenol SMILES: CC1=C(Br)C(Br)=C(O)C(Br)=C1Br

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Specifications

PubChem CID	458139
CAS	37721-75-8
Molecular Weight (g/mol)	423.72
MDL Number	MFCD00060318
SMILES	CC1=C(Br)C(Br)=C(O)C(Br)=C1Br
IUPAC Name	2,3,5,6-tetrabromo-4-methylphenol
InChI Key	OMVMKSWFUQZIFD-UHFFFAOYSA-N
Molecular Formula	C7H4Br4O

9,329

4-Dodecyl-o-cresol 98.0+%, TCI America™

CAS: 29665-59-6 Molecular Formula: C19H32O Molecular Weight (g/mol): 276.46 MDL Number: MFCD00191639 InChI Key: RJLWSJUUDKAMPQ-UHFFFAOYSA-N Synonym: 4-Lauryl-o-cresol PubChem CID: 578742 IUPAC Name: 4-dodecyl-2-methylphenol SMILES: CCCCCCCCCCCCC1=CC(C)=C(O)C=C1

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Specifications

PubChem CID	578742
CAS	29665-59-6
Molecular Weight (g/mol)	276.46
MDL Number	MFCD00191639
SMILES	CCCCCCCCCCCCC1=CC(C)=C(O)C=C1
Synonym	4-Lauryl-o-cresol
IUPAC Name	4-dodecyl-2-methylphenol
InChI Key	RJLWSJUUDKAMPQ-UHFFFAOYSA-N
Molecular Formula	C19H32O

9,330

2-Chloro-p-cresol 97.0+%, TCI America™

CAS: 6640-27-3 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 InChI Key: AQJFATAFTQCRGC-UHFFFAOYSA-N Synonym: 2-Chloro-4-methylphenol PubChem CID: 14851 ChEBI: CHEBI:79732 IUPAC Name: 2-chloro-4-methylphenol SMILES: CC1=CC(=C(C=C1)O)Cl

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Specifications

PubChem CID	14851
CAS	6640-27-3
Molecular Weight (g/mol)	142.582
ChEBI	CHEBI:79732
SMILES	CC1=CC(=C(C=C1)O)Cl
Synonym	2-Chloro-4-methylphenol
IUPAC Name	2-chloro-4-methylphenol
InChI Key	AQJFATAFTQCRGC-UHFFFAOYSA-N
Molecular Formula	C7H7ClO

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