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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.
Benzene and substituted derivatives (67,704)
Phenols (13,502)
Naphthalenes (5,073)
Fluorenes (1,235)
Unsubstituted Phenols (1,165)
Thiophenols (617)
Phenol esters (564)
Anthracenes (413)
Phenanthrenes and derivatives (327)
Tetralins (327)
Indanes (313)
Triphenyl compounds (278)
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Ellagic acids and derivatives (33)
Pentacenes (19)
Pentacenequinones (16)
Acenaphthylenes (15)
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1-hydroxylamino 2-unsubstituted benzenoids (6)

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3,256 – 3,270 of 78,615 results
3,256

3-Benzoylbenzoic acid, 98%

CAS: 579-18-0 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.23 MDL Number: MFCD00002518 InChI Key: AXJXRLHTQQONQR-UHFFFAOYSA-N PubChem CID: 101386 IUPAC Name: 3-benzoylbenzoic acid SMILES: OC(=O)C1=CC=CC(=C1)C(=O)C1=CC=CC=C1

PubChem CID 101386
CAS 579-18-0
Molecular Weight (g/mol) 226.23
MDL Number MFCD00002518
SMILES OC(=O)C1=CC=CC(=C1)C(=O)C1=CC=CC=C1
IUPAC Name 3-benzoylbenzoic acid
InChI Key AXJXRLHTQQONQR-UHFFFAOYSA-N
Molecular Formula C14H10O3
3,257

Methyl 4-chlorobenzoate, 99%

CAS: 1126-46-1 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00000621 InChI Key: LXNFVVDCCWUUKC-UHFFFAOYSA-N Synonym: methyl p-chlorobenzoate,4-chlorobenzoic acid methyl ester,benzoic acid, 4-chloro-, methyl ester,unii-m0u80j80va,benzoic acid, p-chloro-, methyl ester,methyl-p-chlorobenzoate,p-chlorobenzoic acid methyl ester,methyl-4-chlorobenzoate,4-chloro-benzoic acid methyl ester,decitabine related compound d PubChem CID: 14307 IUPAC Name: methyl 4-chlorobenzoate SMILES: COC(=O)C1=CC=C(Cl)C=C1

PubChem CID 14307
CAS 1126-46-1
Molecular Weight (g/mol) 170.59
MDL Number MFCD00000621
SMILES COC(=O)C1=CC=C(Cl)C=C1
Synonym methyl p-chlorobenzoate,4-chlorobenzoic acid methyl ester,benzoic acid, 4-chloro-, methyl ester,unii-m0u80j80va,benzoic acid, p-chloro-, methyl ester,methyl-p-chlorobenzoate,p-chlorobenzoic acid methyl ester,methyl-4-chlorobenzoate,4-chloro-benzoic acid methyl ester,decitabine related compound d
IUPAC Name methyl 4-chlorobenzoate
InChI Key LXNFVVDCCWUUKC-UHFFFAOYSA-N
Molecular Formula C8H7ClO2
3,258

Dimethyl 5-bromoisophthalate, 98%

CAS: 51760-21-5 Molecular Formula: C10H9BrO4 Molecular Weight (g/mol): 273.082 MDL Number: MFCD00078709 InChI Key: QUJINGKSNJNXEB-UHFFFAOYSA-N Synonym: dimethyl 5-bromoisophthalate,5-bromoisophthalic acid dimethyl ester,dimethyl-5-bromoisophthalate,1,3-benzenedicarboxylic acid, 5-bromo-, dimethyl ester,1,3-dimethyl 5-bromobenzene-1,3-dicarboxylate,dimethyl5-bromoisophthalate,5-bromo-isophthalic acid dimethyl ester,1,3-benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester,methyl 5-bromo-3-methoxycarbonyl benzoate,5-bromoisophthalic acid, dimethyl ester PubChem CID: 103954 IUPAC Name: dimethyl 5-bromobenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(=C1)Br)C(=O)OC

PubChem CID 103954
CAS 51760-21-5
Molecular Weight (g/mol) 273.082
MDL Number MFCD00078709
SMILES COC(=O)C1=CC(=CC(=C1)Br)C(=O)OC
Synonym dimethyl 5-bromoisophthalate,5-bromoisophthalic acid dimethyl ester,dimethyl-5-bromoisophthalate,1,3-benzenedicarboxylic acid, 5-bromo-, dimethyl ester,1,3-dimethyl 5-bromobenzene-1,3-dicarboxylate,dimethyl5-bromoisophthalate,5-bromo-isophthalic acid dimethyl ester,1,3-benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester,methyl 5-bromo-3-methoxycarbonyl benzoate,5-bromoisophthalic acid, dimethyl ester
IUPAC Name dimethyl 5-bromobenzene-1,3-dicarboxylate
InChI Key QUJINGKSNJNXEB-UHFFFAOYSA-N
Molecular Formula C10H9BrO4
3,259

2,6-Dichlorobenzylamine, 97+%

CAS: 6575-27-5 Molecular Formula: C7H7Cl2N Molecular Weight (g/mol): 176.04 MDL Number: MFCD00047928 InChI Key: VLVLNNQMURDGPM-UHFFFAOYSA-N Synonym: 2,6-dichlorobenzylamine,2,6-dichlorophenyl methanamine,benzenemethanamine, 2,6-dichloro,2,6-dichlorophenyl methylamine,1-2,6-dichlorophenyl methanamine,pubchem15690,2,6-dichloro-benzylamine,acmc-20ao98,chembl13305,benzenemethanamine,2,6-dichloro PubChem CID: 485432 IUPAC Name: (2,6-dichlorophenyl)methanamine SMILES: NCC1=C(Cl)C=CC=C1Cl

PubChem CID 485432
CAS 6575-27-5
Molecular Weight (g/mol) 176.04
MDL Number MFCD00047928
SMILES NCC1=C(Cl)C=CC=C1Cl
Synonym 2,6-dichlorobenzylamine,2,6-dichlorophenyl methanamine,benzenemethanamine, 2,6-dichloro,2,6-dichlorophenyl methylamine,1-2,6-dichlorophenyl methanamine,pubchem15690,2,6-dichloro-benzylamine,acmc-20ao98,chembl13305,benzenemethanamine,2,6-dichloro
IUPAC Name (2,6-dichlorophenyl)methanamine
InChI Key VLVLNNQMURDGPM-UHFFFAOYSA-N
Molecular Formula C7H7Cl2N
3,260

4-Ethoxybenzoic acid, 98+%

CAS: 619-86-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002545 InChI Key: SHSGDXCJYVZFTP-UHFFFAOYSA-N Synonym: p-ethoxybenzoic acid,benzoic acid, 4-ethoxy,benzoic acid, p-ethoxy,4-ethoxy-benzoic acid,unii-tzr23xeq7w,tzr23xeq7w,4-ethoxybenzoicacid,4ethoxybenzoic acid,pubchem2686,para-ethoxybenzoic acid PubChem CID: 12093 IUPAC Name: 4-ethoxybenzoic acid SMILES: CCOC1=CC=C(C=C1)C(=O)O

PubChem CID 12093
CAS 619-86-3
Molecular Weight (g/mol) 166.176
MDL Number MFCD00002545
SMILES CCOC1=CC=C(C=C1)C(=O)O
Synonym p-ethoxybenzoic acid,benzoic acid, 4-ethoxy,benzoic acid, p-ethoxy,4-ethoxy-benzoic acid,unii-tzr23xeq7w,tzr23xeq7w,4-ethoxybenzoicacid,4ethoxybenzoic acid,pubchem2686,para-ethoxybenzoic acid
IUPAC Name 4-ethoxybenzoic acid
InChI Key SHSGDXCJYVZFTP-UHFFFAOYSA-N
Molecular Formula C9H10O3
3,261

N-Methylanthranilic acid, 90+%

CAS: 119-68-6 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00002424 InChI Key: WVMBPWMAQDVZCM-UHFFFAOYSA-N Synonym: n-methylanthranilic acid,2-methylamino benzoic acid,n-methyl-2-aminobenzoic acid,n-methyl-o-aminobenzoic acid,benzoic acid, 2-methylamino,o-methylamino benzoic acid,anthranilic acid, n-methyl,2-methylamino-benzoic acid,kyselina n-methylanthranilova,unii-vpb2514iuj PubChem CID: 67069 ChEBI: CHEBI:16394 IUPAC Name: 2-(methylamino)benzoic acid SMILES: CNC1=CC=CC=C1C(=O)O

PubChem CID 67069
CAS 119-68-6
Molecular Weight (g/mol) 151.165
ChEBI CHEBI:16394
MDL Number MFCD00002424
SMILES CNC1=CC=CC=C1C(=O)O
Synonym n-methylanthranilic acid,2-methylamino benzoic acid,n-methyl-2-aminobenzoic acid,n-methyl-o-aminobenzoic acid,benzoic acid, 2-methylamino,o-methylamino benzoic acid,anthranilic acid, n-methyl,2-methylamino-benzoic acid,kyselina n-methylanthranilova,unii-vpb2514iuj
IUPAC Name 2-(methylamino)benzoic acid
InChI Key WVMBPWMAQDVZCM-UHFFFAOYSA-N
Molecular Formula C8H9NO2
3,262

Ethyl 2-iodobenzoate, 98%

CAS: 1829-28-3 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.07 MDL Number: MFCD00051796 InChI Key: QOUFDDUDXYJWHV-UHFFFAOYSA-N Synonym: 2-iodobenzoic acid ethyl ester,rarechem al bi 0562,ethyl iodobenzoate,ethyl-2-iodobenzoate,ethyl 2-iodanylbenzoate,acmc-1ag98,2-ethoxycarbonyl iodobenzene,benzoic acid, 2-iodo-,ethyl ester,benzoic acid, 2-iodo-, ethyl ester PubChem CID: 2829347 IUPAC Name: ethyl 2-iodobenzoate SMILES: CCOC(=O)C1=CC=CC=C1I

PubChem CID 2829347
CAS 1829-28-3
Molecular Weight (g/mol) 276.07
MDL Number MFCD00051796
SMILES CCOC(=O)C1=CC=CC=C1I
Synonym 2-iodobenzoic acid ethyl ester,rarechem al bi 0562,ethyl iodobenzoate,ethyl-2-iodobenzoate,ethyl 2-iodanylbenzoate,acmc-1ag98,2-ethoxycarbonyl iodobenzene,benzoic acid, 2-iodo-,ethyl ester,benzoic acid, 2-iodo-, ethyl ester
IUPAC Name ethyl 2-iodobenzoate
InChI Key QOUFDDUDXYJWHV-UHFFFAOYSA-N
Molecular Formula C9H9IO2
3,263

1-Bromo-3-ethylbenzene, 98%

CAS: 2725-82-8 Molecular Formula: C8H9Br Molecular Weight (g/mol): 185.064 MDL Number: MFCD00156128 InChI Key: ZRFJYAZQMFCUIX-UHFFFAOYSA-N Synonym: benzene, 1-bromo-3-ethyl,3-ethylbromobenzene,1-bromo-3-ethyl-benzene,3-bromoethyl benzene,3ethylbromobenzene,m-bromoethylbenzene,3-bromo-ethylbenzene,pubchem3771,1bromo-3-ethylbenzene,1-bromo-3-ethylbenze PubChem CID: 123170 IUPAC Name: 1-bromo-3-ethylbenzene SMILES: CCC1=CC(=CC=C1)Br

PubChem CID 123170
CAS 2725-82-8
Molecular Weight (g/mol) 185.064
MDL Number MFCD00156128
SMILES CCC1=CC(=CC=C1)Br
Synonym benzene, 1-bromo-3-ethyl,3-ethylbromobenzene,1-bromo-3-ethyl-benzene,3-bromoethyl benzene,3ethylbromobenzene,m-bromoethylbenzene,3-bromo-ethylbenzene,pubchem3771,1bromo-3-ethylbenzene,1-bromo-3-ethylbenze
IUPAC Name 1-bromo-3-ethylbenzene
InChI Key ZRFJYAZQMFCUIX-UHFFFAOYSA-N
Molecular Formula C8H9Br
3,264

4,4,4-Trifluoro-1-(2-naphthyl)-1,3-butanedione, 99%

CAS: 893-33-4 Molecular Formula: C14H9F3O2 Molecular Weight (g/mol): 266.219 MDL Number: MFCD00054501 InChI Key: WVVLURYIQCXPIV-UHFFFAOYSA-N Synonym: 4,4,4-trifluoro-1-naphthalen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-naphthyl-1,3-butanedione,1-2-naphthoyl-3,3,3-trifluoroacetone,4,4,4-trifluoro-1-2-naphthyl butane-1,3-dione,3-2-naphthoyl-1,1,1-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-naphthalenyl,2-naphthoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-naphthyl,4,4,4-trifluoro-3-oxo-2'-butyronaphthone,acmc-1bl5t PubChem CID: 70179 IUPAC Name: 4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-dione SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)C(F)(F)F

PubChem CID 70179
CAS 893-33-4
Molecular Weight (g/mol) 266.219
MDL Number MFCD00054501
SMILES C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)C(F)(F)F
Synonym 4,4,4-trifluoro-1-naphthalen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-naphthyl-1,3-butanedione,1-2-naphthoyl-3,3,3-trifluoroacetone,4,4,4-trifluoro-1-2-naphthyl butane-1,3-dione,3-2-naphthoyl-1,1,1-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-naphthalenyl,2-naphthoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-naphthyl,4,4,4-trifluoro-3-oxo-2'-butyronaphthone,acmc-1bl5t
IUPAC Name 4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-dione
InChI Key WVVLURYIQCXPIV-UHFFFAOYSA-N
Molecular Formula C14H9F3O2
3,265

3-Fluoro-2-methylaniline, 98+%

CAS: 443-86-7 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00007760 InChI Key: SLDLVGFPFFLYBM-UHFFFAOYSA-N Synonym: 3-fluoro-o-toluidine,2-fluoro-6-aminotoluene,2-amino-6-fluorotoluene,6-amino-2-fluorotoluene,3-fluoro-2-methyl-aniline,benzenamine, 3-fluoro-2-methyl,3-fluoro-2-methylphenylamine,2-methyl-3-fluoroaniline,hydrochloride,3-fluor-2-methylanilin PubChem CID: 285553 IUPAC Name: 3-fluoro-2-methylaniline SMILES: CC1=C(N)C=CC=C1F

PubChem CID 285553
CAS 443-86-7
Molecular Weight (g/mol) 125.15
MDL Number MFCD00007760
SMILES CC1=C(N)C=CC=C1F
Synonym 3-fluoro-o-toluidine,2-fluoro-6-aminotoluene,2-amino-6-fluorotoluene,6-amino-2-fluorotoluene,3-fluoro-2-methyl-aniline,benzenamine, 3-fluoro-2-methyl,3-fluoro-2-methylphenylamine,2-methyl-3-fluoroaniline,hydrochloride,3-fluor-2-methylanilin
IUPAC Name 3-fluoro-2-methylaniline
InChI Key SLDLVGFPFFLYBM-UHFFFAOYSA-N
Molecular Formula C7H8FN
3,266

1-(2-Bromophenyl)-1H-pyrazole, ≥97%, Thermo Scientific™

CAS: 87488-84-4 Molecular Formula: C9H7BrN2 Molecular Weight (g/mol): 223.07 MDL Number: MFCD06659065 InChI Key: QNDJHGODPWAKAO-UHFFFAOYSA-N Synonym: 1-2-bromophenyl-1h-pyrazole,1-2-bromophenyl pyrazole,1-2-bromo-phenyl-1h-pyrazole,2-bromophenyl pyrazole,acmc-209qo1,1h-pyrazole,1-2-bromophenyl,1h-pyrazole, 1-2-bromophenyl PubChem CID: 2795433 IUPAC Name: 1-(2-bromophenyl)-1H-pyrazole SMILES: BrC1=CC=CC=C1N1C=CC=N1

PubChem CID 2795433
CAS 87488-84-4
Molecular Weight (g/mol) 223.07
MDL Number MFCD06659065
SMILES BrC1=CC=CC=C1N1C=CC=N1
Synonym 1-2-bromophenyl-1h-pyrazole,1-2-bromophenyl pyrazole,1-2-bromo-phenyl-1h-pyrazole,2-bromophenyl pyrazole,acmc-209qo1,1h-pyrazole,1-2-bromophenyl,1h-pyrazole, 1-2-bromophenyl
IUPAC Name 1-(2-bromophenyl)-1H-pyrazole
InChI Key QNDJHGODPWAKAO-UHFFFAOYSA-N
Molecular Formula C9H7BrN2
3,267

(1S,2S)-(+)-2-Benzyloxycyclohexyl isothiocyanate, 97%

CAS: 737000-89-4 Molecular Formula: C14H17NOS Molecular Weight (g/mol): 247.356 MDL Number: MFCD05664047 InChI Key: DNRPSBSMXLYTQF-KBPBESRZSA-N Synonym: 1s,2s-+-2-benzyloxycyclohexyl isothiocyanate,1s,2s-2-isothiocyanatocyclohexyl oxy methyl benzene,1s,2s-2-phenylmethoxy cyclohexanisothiocyanate PubChem CID: 11863573 IUPAC Name: [(1S,2S)-2-isothiocyanatocyclohexyl]oxymethylbenzene SMILES: C1CCC(C(C1)N=C=S)OCC2=CC=CC=C2

PubChem CID 11863573
CAS 737000-89-4
Molecular Weight (g/mol) 247.356
MDL Number MFCD05664047
SMILES C1CCC(C(C1)N=C=S)OCC2=CC=CC=C2
Synonym 1s,2s-+-2-benzyloxycyclohexyl isothiocyanate,1s,2s-2-isothiocyanatocyclohexyl oxy methyl benzene,1s,2s-2-phenylmethoxy cyclohexanisothiocyanate
IUPAC Name [(1S,2S)-2-isothiocyanatocyclohexyl]oxymethylbenzene
InChI Key DNRPSBSMXLYTQF-KBPBESRZSA-N
Molecular Formula C14H17NOS
3,268

o-Anisic acid, 99%

CAS: 579-75-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002431 InChI Key: ILUJQPXNXACGAN-UHFFFAOYSA-N Synonym: o-anisic acid,o-methoxybenzoic acid,2-anisic acid,o-methylsalicylic acid,benzoic acid, 2-methoxy,salicylic acid methyl ether,2-methoxy-benzoic acid,2-methoxybenzoicacid,o-methoxy benzoic acid,ortho-methoxybenzoic acid PubChem CID: 11370 ChEBI: CHEBI:421840 IUPAC Name: 2-methoxybenzoic acid SMILES: COC1=CC=CC=C1C(=O)O

PubChem CID 11370
CAS 579-75-9
Molecular Weight (g/mol) 152.15
ChEBI CHEBI:421840
MDL Number MFCD00002431
SMILES COC1=CC=CC=C1C(=O)O
Synonym o-anisic acid,o-methoxybenzoic acid,2-anisic acid,o-methylsalicylic acid,benzoic acid, 2-methoxy,salicylic acid methyl ether,2-methoxy-benzoic acid,2-methoxybenzoicacid,o-methoxy benzoic acid,ortho-methoxybenzoic acid
IUPAC Name 2-methoxybenzoic acid
InChI Key ILUJQPXNXACGAN-UHFFFAOYSA-N
Molecular Formula C8H8O3
3,269

1-(3-Iodobenzyl)-1h-pyrazole, ≥97%, Thermo Scientific™

CAS: 884507-56-6 Molecular Formula: C10H9IN2 Molecular Weight (g/mol): 284.1 MDL Number: MFCD08435919 InChI Key: GWLQKUUXEMKUEW-UHFFFAOYSA-N Synonym: 1-3-iodobenzyl-1h-pyrazole,1-3-iodophenyl methyl pyrazole,1h-pyrazole,1-3-iodophenyl methyl,1-3-iodophenyl methyl-1h-pyrazole PubChem CID: 18525879 IUPAC Name: 1-[(3-iodophenyl)methyl]pyrazole SMILES: C1=CC(=CC(=C1)I)CN2C=CC=N2

PubChem CID 18525879
CAS 884507-56-6
Molecular Weight (g/mol) 284.1
MDL Number MFCD08435919
SMILES C1=CC(=CC(=C1)I)CN2C=CC=N2
Synonym 1-3-iodobenzyl-1h-pyrazole,1-3-iodophenyl methyl pyrazole,1h-pyrazole,1-3-iodophenyl methyl,1-3-iodophenyl methyl-1h-pyrazole
IUPAC Name 1-[(3-iodophenyl)methyl]pyrazole
InChI Key GWLQKUUXEMKUEW-UHFFFAOYSA-N
Molecular Formula C10H9IN2
3,270

3-Amino-2-naphthoic acid, 85%, tech.

CAS: 5959-52-4 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.2 MDL Number: MFCD00004115 InChI Key: XFXOLBNQYFRSLQ-UHFFFAOYSA-N Synonym: 3-amino-2-naphthoic acid,2-amino-3-naphthoic acid,3-aminoisonaphthoic acid,2-naphthalenecarboxylic acid, 3-amino,2-amino-3-carboxynaphthalene,2-naphthoic acid, 3-amino,3-amino-2-naphthalenecarboxylic acid,unii-iv5z0phl5d,iv5z0phl5d,3-amino-naphthalene-2-carboxylic acid PubChem CID: 22244 IUPAC Name: 3-aminonaphthalene-2-carboxylic acid SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)O)N

PubChem CID 22244
CAS 5959-52-4
Molecular Weight (g/mol) 187.2
MDL Number MFCD00004115
SMILES C1=CC=C2C=C(C(=CC2=C1)C(=O)O)N
Synonym 3-amino-2-naphthoic acid,2-amino-3-naphthoic acid,3-aminoisonaphthoic acid,2-naphthalenecarboxylic acid, 3-amino,2-amino-3-carboxynaphthalene,2-naphthoic acid, 3-amino,3-amino-2-naphthalenecarboxylic acid,unii-iv5z0phl5d,iv5z0phl5d,3-amino-naphthalene-2-carboxylic acid
IUPAC Name 3-aminonaphthalene-2-carboxylic acid
InChI Key XFXOLBNQYFRSLQ-UHFFFAOYSA-N
Molecular Formula C11H9NO2