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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 (64,928)
Phenols (11,908)
Naphthalenes (4,958)
Fluorenes (1,242)
Unsubstituted Phenols (1,173)
Thiophenols (610)
Phenol esters (428)
Anthracenes (400)
Tetralins (329)
Phenanthrenes and derivatives (300)
Triphenyl compounds (290)
Indanes (288)
Pyrenes (217)
Dibenzocycloheptenes (65)
Ellagic acids and derivatives (33)
Naphthacenes (31)
Acenaphthylenes (16)
Pentacenequinones (16)
Pentacenes (15)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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9,241 – 9,255 of 73,817 results
9,241

4-Methylsalicylic Acid 99.0+%, TCI America™
SDP

CAS: 50-85-1 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002454 InChI Key: NJESAXZANHETJV-UHFFFAOYSA-N Synonym: 4-methylsalicylic acid,m-cresotic acid,2,4-cresotic acid,m-cresotinic acid,2-hydroxy-p-toluic acid,m-homosalicylic acid,4-methyl-2-hydroxybenzoic acid,gamma-cresotic acid,benzoic acid, 2-hydroxy-4-methyl,4-methylsalicylate PubChem CID: 5788 ChEBI: CHEBI:20450 IUPAC Name: 2-hydroxy-4-methylbenzoic acid SMILES: CC1=CC(=C(C=C1)C(=O)O)O

PubChem CID 5788
CAS 50-85-1
Molecular Weight (g/mol) 152.149
ChEBI CHEBI:20450
MDL Number MFCD00002454
SMILES CC1=CC(=C(C=C1)C(=O)O)O
Synonym 4-methylsalicylic acid,m-cresotic acid,2,4-cresotic acid,m-cresotinic acid,2-hydroxy-p-toluic acid,m-homosalicylic acid,4-methyl-2-hydroxybenzoic acid,gamma-cresotic acid,benzoic acid, 2-hydroxy-4-methyl,4-methylsalicylate
IUPAC Name 2-hydroxy-4-methylbenzoic acid
InChI Key NJESAXZANHETJV-UHFFFAOYSA-N
Molecular Formula C8H8O3
9,242

4-Chloro-2-nitrophenol 98.0+%, TCI America™
SDP

CAS: 89-64-5 Molecular Formula: C6H4ClNO3 Molecular Weight (g/mol): 173.55 MDL Number: MFCD00007113 InChI Key: NWSIFTLPLKCTSX-UHFFFAOYSA-N Synonym: 2-nitro-4-chlorophenol,phenol, 4-chloro-2-nitro,unii-438lq62wnh,4-chloro-2-nitro-phenol,4-chloro-6-nitrophenol,acmc-209r2b,5-chloro-2-hydroxynitrobenzene,4-chloro-2-nitrophenol PubChem CID: 6980 IUPAC Name: 4-chloro-2-nitrophenol SMILES: OC1=CC=C(Cl)C=C1[N+]([O-])=O

PubChem CID 6980
CAS 89-64-5
Molecular Weight (g/mol) 173.55
MDL Number MFCD00007113
SMILES OC1=CC=C(Cl)C=C1[N+]([O-])=O
Synonym 2-nitro-4-chlorophenol,phenol, 4-chloro-2-nitro,unii-438lq62wnh,4-chloro-2-nitro-phenol,4-chloro-6-nitrophenol,acmc-209r2b,5-chloro-2-hydroxynitrobenzene,4-chloro-2-nitrophenol
IUPAC Name 4-chloro-2-nitrophenol
InChI Key NWSIFTLPLKCTSX-UHFFFAOYSA-N
Molecular Formula C6H4ClNO3
9,243

2,2-Bis(4-acetoxyphenyl)propane 98.0+%, TCI America™
SDP

CAS: 10192-62-8 Molecular Formula: C19H20O4 Molecular Weight (g/mol): 312.37 MDL Number: MFCD00026194 InChI Key: NSNHONPMCQYMNT-UHFFFAOYSA-N Synonym: bisphenol a diacetate,2,2-bis 4-acetoxyphenyl propane,phenol, 4,4'-1-methylethylidene bis-, diacetate,propane-2,2-diylbis 4,1-phenylene diacetate,phenol, 4,4'-1-methylethylidene bis-, 1,1'-diacetate,4-2-4-acetyloxyphenyl propan-2-yl phenyl acetate,4-2-4-acetyloxy phenyl propan-2-yl phenyl acetate,4-1-4-acetyloxyphenyl-isopropyl phenyl acetate,4,4'-isopropylidenediphenyl diacetate,propane-2,2-diyldi-4,1-phenylene diacetate PubChem CID: 82437 IUPAC Name: 4-{2-[4-(acetyloxy)phenyl]propan-2-yl}phenyl acetate SMILES: CC(=O)OC1=CC=C(C=C1)C(C)(C)C1=CC=C(OC(C)=O)C=C1

PubChem CID 82437
CAS 10192-62-8
Molecular Weight (g/mol) 312.37
MDL Number MFCD00026194
SMILES CC(=O)OC1=CC=C(C=C1)C(C)(C)C1=CC=C(OC(C)=O)C=C1
Synonym bisphenol a diacetate,2,2-bis 4-acetoxyphenyl propane,phenol, 4,4'-1-methylethylidene bis-, diacetate,propane-2,2-diylbis 4,1-phenylene diacetate,phenol, 4,4'-1-methylethylidene bis-, 1,1'-diacetate,4-2-4-acetyloxyphenyl propan-2-yl phenyl acetate,4-2-4-acetyloxy phenyl propan-2-yl phenyl acetate,4-1-4-acetyloxyphenyl-isopropyl phenyl acetate,4,4'-isopropylidenediphenyl diacetate,propane-2,2-diyldi-4,1-phenylene diacetate
IUPAC Name 4-{2-[4-(acetyloxy)phenyl]propan-2-yl}phenyl acetate
InChI Key NSNHONPMCQYMNT-UHFFFAOYSA-N
Molecular Formula C19H20O4
9,244

(-)-Di-p-anisoyl-L-tartaric Acid 97.0+%, TCI America™
SDP

CAS: 50583-51-2 Molecular Formula: C20H18O10 Molecular Weight (g/mol): 418.354 MDL Number: MFCD02682986 InChI Key: KWWCVCFQHGKOMI-HZPDHXFCSA-N Synonym: (-)-Bis(4-methoxybenzoyl)-L-tartaric Acid PubChem CID: 11704418 IUPAC Name: (2R,3R)-2,3-bis[(4-methoxybenzoyl)oxy]butanedioic acid SMILES: COC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)OC)C(=O)O

PubChem CID 11704418
CAS 50583-51-2
Molecular Weight (g/mol) 418.354
MDL Number MFCD02682986
SMILES COC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)OC)C(=O)O
Synonym (-)-Bis(4-methoxybenzoyl)-L-tartaric Acid
IUPAC Name (2R,3R)-2,3-bis[(4-methoxybenzoyl)oxy]butanedioic acid
InChI Key KWWCVCFQHGKOMI-HZPDHXFCSA-N
Molecular Formula C20H18O10
9,245

o-Tolyl Acetate 98.0+%, TCI America™
SDP

CAS: 533-18-6 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00053704 InChI Key: AMZORBZSQRUXNC-UHFFFAOYSA-N Synonym: Acetic Acid o-Cresyl Ester, Acetic Acid o-Tolyl Ester, o-Cresyl Acetate PubChem CID: 10778 IUPAC Name: 2-methylphenyl acetate SMILES: CC(=O)OC1=CC=CC=C1C

PubChem CID 10778
CAS 533-18-6
Molecular Weight (g/mol) 150.18
MDL Number MFCD00053704
SMILES CC(=O)OC1=CC=CC=C1C
Synonym Acetic Acid o-Cresyl Ester, Acetic Acid o-Tolyl Ester, o-Cresyl Acetate
IUPAC Name 2-methylphenyl acetate
InChI Key AMZORBZSQRUXNC-UHFFFAOYSA-N
Molecular Formula C9H10O2
9,246

Bis(4-cyanobenzyl)amine Hydrochloride 98.0+%, TCI America™
SDP

CAS: 1802566-49-9 Molecular Formula: C16H14ClN3 Molecular Weight (g/mol): 283.759 InChI Key: KUPRRXGOGODEHA-UHFFFAOYSA-N Synonym: alpha,alpha′C-Iminodi-p-tolunitrile Hydrochloride PubChem CID: 44629811 IUPAC Name: 4-[[(4-cyanophenyl)methylamino]methyl]benzonitrile;hydrochloride SMILES: C1=CC(=CC=C1CNCC2=CC=C(C=C2)C#N)C#N.Cl

PubChem CID 44629811
CAS 1802566-49-9
Molecular Weight (g/mol) 283.759
SMILES C1=CC(=CC=C1CNCC2=CC=C(C=C2)C#N)C#N.Cl
Synonym alpha,alpha′C-Iminodi-p-tolunitrile Hydrochloride
IUPAC Name 4-[[(4-cyanophenyl)methylamino]methyl]benzonitrile;hydrochloride
InChI Key KUPRRXGOGODEHA-UHFFFAOYSA-N
Molecular Formula C16H14ClN3
9,247

trans-Anethole 98.0+%, TCI America™
SDP

CAS: 4180-23-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00009284 InChI Key: RUVINXPYWBROJD-ONEGZZNKSA-N Synonym: anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole PubChem CID: 637563 ChEBI: CHEBI:35616 IUPAC Name: 1-methoxy-4-[(E)-prop-1-enyl]benzene SMILES: CC=CC1=CC=C(C=C1)OC

PubChem CID 637563
CAS 4180-23-8
Molecular Weight (g/mol) 148.205
ChEBI CHEBI:35616
MDL Number MFCD00009284
SMILES CC=CC1=CC=C(C=C1)OC
Synonym anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole
IUPAC Name 1-methoxy-4-[(E)-prop-1-enyl]benzene
InChI Key RUVINXPYWBROJD-ONEGZZNKSA-N
Molecular Formula C10H12O
9,248

3-Bromocumene 98.0+%, TCI America™
SDP

CAS: 5433-01-2 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.09 MDL Number: MFCD01318112 InChI Key: GBSGGFCCQZUXNB-UHFFFAOYSA-N Synonym: 1-bromo-3-isopropylbenzene,3-isopropylbromobenzene,3-bromocumene,3-bromoisopropylbenzene,benzene, 1-bromo-3-1-methylethyl,1-bromo-3-isopropyl-benzene,1-bromo-3-1-methylethyl benzene,m-bromocumene,m-isopropylbromobenzene,m-bromo-isopropyl-benzene PubChem CID: 138499 IUPAC Name: 1-bromo-3-propan-2-ylbenzene SMILES: CC(C)C1=CC(=CC=C1)Br

PubChem CID 138499
CAS 5433-01-2
Molecular Weight (g/mol) 199.09
MDL Number MFCD01318112
SMILES CC(C)C1=CC(=CC=C1)Br
Synonym 1-bromo-3-isopropylbenzene,3-isopropylbromobenzene,3-bromocumene,3-bromoisopropylbenzene,benzene, 1-bromo-3-1-methylethyl,1-bromo-3-isopropyl-benzene,1-bromo-3-1-methylethyl benzene,m-bromocumene,m-isopropylbromobenzene,m-bromo-isopropyl-benzene
IUPAC Name 1-bromo-3-propan-2-ylbenzene
InChI Key GBSGGFCCQZUXNB-UHFFFAOYSA-N
Molecular Formula C9H11Br
9,249

(S)-(+)-6,6'-Dibromo-1,1'-bi-2-naphthol 98.0+%, TCI America™
SDP

CAS: 80655-81-8 Molecular Formula: C20H12Br2O2 Molecular Weight (g/mol): 444.12 MDL Number: MFCD00798290 InChI Key: OORIFUHRGQKYEV-UHFFFAOYSA-N PubChem CID: 222842 IUPAC Name: 6,6'-dibromo-[1,1'-binaphthalene]-2,2'-diol SMILES: OC1=CC=C2C=C(Br)C=CC2=C1C1=C(O)C=CC2=CC(Br)=CC=C12

PubChem CID 222842
CAS 80655-81-8
Molecular Weight (g/mol) 444.12
MDL Number MFCD00798290
SMILES OC1=CC=C2C=C(Br)C=CC2=C1C1=C(O)C=CC2=CC(Br)=CC=C12
IUPAC Name 6,6'-dibromo-[1,1'-binaphthalene]-2,2'-diol
InChI Key OORIFUHRGQKYEV-UHFFFAOYSA-N
Molecular Formula C20H12Br2O2
9,250

4-Acetyl-6-tert-butyl-1,1-dimethylindan 98.0+%, TCI America™
SDP

CAS: 13171-00-1 Molecular Formula: C17H24O Molecular Weight (g/mol): 244.38 MDL Number: MFCD00046324 InChI Key: IKTHMQYJOWTSJO-UHFFFAOYSA-N PubChem CID: 61585 IUPAC Name: 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethan-1-one SMILES: CC(=O)C1=CC(=CC2=C1CCC2(C)C)C(C)(C)C

PubChem CID 61585
CAS 13171-00-1
Molecular Weight (g/mol) 244.38
MDL Number MFCD00046324
SMILES CC(=O)C1=CC(=CC2=C1CCC2(C)C)C(C)(C)C
IUPAC Name 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethan-1-one
InChI Key IKTHMQYJOWTSJO-UHFFFAOYSA-N
Molecular Formula C17H24O
9,251

9-Bromofluorene 98.0+%, TCI America™
SDP

CAS: 1940-57-4 Molecular Formula: C13H9Br Molecular Weight (g/mol): 245.119 MDL Number: MFCD00001133 InChI Key: AHCDKANCCBEQJJ-UHFFFAOYSA-N Synonym: 9-bromofluorene,fluorene, 9-bromo,9h-fluorene, 9-bromo,9-fluorenyl bromide,monobromofluorene,9-bromo-fluoren,9-brom-9h-fluoren,acmc-1bqkc,9-bromanyl-9h-fluorene PubChem CID: 16024 IUPAC Name: 9-bromo-9H-fluorene SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)Br

PubChem CID 16024
CAS 1940-57-4
Molecular Weight (g/mol) 245.119
MDL Number MFCD00001133
SMILES C1=CC=C2C(=C1)C(C3=CC=CC=C32)Br
Synonym 9-bromofluorene,fluorene, 9-bromo,9h-fluorene, 9-bromo,9-fluorenyl bromide,monobromofluorene,9-bromo-fluoren,9-brom-9h-fluoren,acmc-1bqkc,9-bromanyl-9h-fluorene
IUPAC Name 9-bromo-9H-fluorene
InChI Key AHCDKANCCBEQJJ-UHFFFAOYSA-N
Molecular Formula C13H9Br
9,252

2,3,6,7,10,11-Hexabromotriphenylene 98.0+%, TCI America™
SDP

CAS: 82632-80-2 Molecular Formula: C18H6Br6 Molecular Weight (g/mol): 701.67 InChI Key: GLHQUXLCQLQNPZ-UHFFFAOYSA-N PubChem CID: 11083045 IUPAC Name: 2,3,6,7,10,11-hexabromotriphenylene SMILES: C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1Br)Br)Br)Br)Br)Br

PubChem CID 11083045
CAS 82632-80-2
Molecular Weight (g/mol) 701.67
SMILES C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1Br)Br)Br)Br)Br)Br
IUPAC Name 2,3,6,7,10,11-hexabromotriphenylene
InChI Key GLHQUXLCQLQNPZ-UHFFFAOYSA-N
Molecular Formula C18H6Br6
9,253

4-Benzyloxy-1,3-butanediol 97.0+%, TCI America™
SDP

CAS: 71998-70-4 Molecular Formula: C11H16O3 Molecular Weight (g/mol): 196.246 InChI Key: ZVVBUAFZGGHYAO-UHFFFAOYSA-N PubChem CID: 13181679 IUPAC Name: 4-phenylmethoxybutane-1,3-diol SMILES: C1=CC=C(C=C1)COCC(CCO)O

PubChem CID 13181679
CAS 71998-70-4
Molecular Weight (g/mol) 196.246
SMILES C1=CC=C(C=C1)COCC(CCO)O
IUPAC Name 4-phenylmethoxybutane-1,3-diol
InChI Key ZVVBUAFZGGHYAO-UHFFFAOYSA-N
Molecular Formula C11H16O3
9,254

Sodium 3-(N-Ethyl-3-methoxyanilino)-2-hydroxy-1-propanesulfonate 98.0+%, TCI America™
SDP

CAS: 82692-96-4 Molecular Formula: C12H22NNaO7S Molecular Weight (g/mol): 347.36 MDL Number: MFCD09261431 InChI Key: PNGLEYLFMHGIQO-UHFFFAOYNA-M Synonym: 3-(N-Ethyl-3-methoxyanilino)-2-hydroxy-1-propanesulfonic Acid Sodium Salt, N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3-methoxyaniline Sodium Salt, ADOS PubChem CID: 71307074 IUPAC Name: sodium 3-[ethyl(3-methoxyphenyl)amino]-2-hydroxypropane-1-sulfonate dihydrate SMILES: O.O.[Na+].CCN(CC(O)CS([O-])(=O)=O)C1=CC(OC)=CC=C1

PubChem CID 71307074
CAS 82692-96-4
Molecular Weight (g/mol) 347.36
MDL Number MFCD09261431
SMILES O.O.[Na+].CCN(CC(O)CS([O-])(=O)=O)C1=CC(OC)=CC=C1
Synonym 3-(N-Ethyl-3-methoxyanilino)-2-hydroxy-1-propanesulfonic Acid Sodium Salt, N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3-methoxyaniline Sodium Salt, ADOS
IUPAC Name sodium 3-[ethyl(3-methoxyphenyl)amino]-2-hydroxypropane-1-sulfonate dihydrate
InChI Key PNGLEYLFMHGIQO-UHFFFAOYNA-M
Molecular Formula C12H22NNaO7S
9,255

2,3,4-Trihydroxydiphenylmethane 98.0+%, TCI America™
SDP

CAS: 17345-66-3 Molecular Formula: C13H12O3 Molecular Weight (g/mol): 216.24 MDL Number: MFCD08276435 InChI Key: UJWRVYWLRMVCIR-UHFFFAOYSA-N Synonym: 4-Benzylpyrogallol PubChem CID: 14121594 IUPAC Name: 4-benzylbenzene-1,2,3-triol SMILES: OC1=C(O)C(O)=C(CC2=CC=CC=C2)C=C1

PubChem CID 14121594
CAS 17345-66-3
Molecular Weight (g/mol) 216.24
MDL Number MFCD08276435
SMILES OC1=C(O)C(O)=C(CC2=CC=CC=C2)C=C1
Synonym 4-Benzylpyrogallol
IUPAC Name 4-benzylbenzene-1,2,3-triol
InChI Key UJWRVYWLRMVCIR-UHFFFAOYSA-N
Molecular Formula C13H12O3