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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 (100,665)
Phenols (19,660)
Naphthalenes (5,805)
Phenol esters (2,809)
Unsubstituted Phenols (1,314)
Fluorenes (1,281)
Thiophenols (655)
Anthracenes (493)
Indanes (420)
Phenanthrenes and derivatives (362)
Tetralins (339)
Triphenyl compounds (278)
Pyrenes (274)
Dibenzocycloheptenes (61)
Naphthacenes (37)
Ellagic acids and derivatives (33)
Pentacenes (20)
Acenaphthylenes (17)
Pentacenequinones (16)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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6,241 – 6,255 of 121,251 results
6,241

4-(4-Hydroxyphenyl)-2-butanone 99.0+%, TCI America™

CAS: 5471-51-2 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00002394 InChI Key: NJGBTKGETPDVIK-UHFFFAOYSA-N Synonym: 4-4-hydroxyphenyl-2-butanone,raspberry ketone,4-4-hydroxyphenyl butan-2-one,frambinone,oxyphenalon,rheosmin,4-p-hydroxyphenyl-2-butanone,4-hydroxybenzylacetone,betuligenol,rasketone PubChem CID: 21648 ChEBI: CHEBI:68656 IUPAC Name: 4-(4-hydroxyphenyl)butan-2-one SMILES: CC(=O)CCC1=CC=C(C=C1)O

PubChem CID 21648
CAS 5471-51-2
Molecular Weight (g/mol) 164.204
ChEBI CHEBI:68656
MDL Number MFCD00002394
SMILES CC(=O)CCC1=CC=C(C=C1)O
Synonym 4-4-hydroxyphenyl-2-butanone,raspberry ketone,4-4-hydroxyphenyl butan-2-one,frambinone,oxyphenalon,rheosmin,4-p-hydroxyphenyl-2-butanone,4-hydroxybenzylacetone,betuligenol,rasketone
IUPAC Name 4-(4-hydroxyphenyl)butan-2-one
InChI Key NJGBTKGETPDVIK-UHFFFAOYSA-N
Molecular Formula C10H12O2
6,242

Butyl Benzoate 99.0+%, TCI America™

CAS: 136-60-7 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00009439 InChI Key: XSIFPSYPOVKYCO-UHFFFAOYSA-N Synonym: n-butyl benzoate,benzoic acid, butyl ester,anthrapole az,benzoic acid butyl ester,dai cari xbn,benzoic acid n-butyl ester,butylester kyseliny benzoove,butylbenzoate,unii-1tgz0d0o8i,butylester kyseliny benzoove czech PubChem CID: 8698 IUPAC Name: butyl benzoate SMILES: CCCCOC(=O)C1=CC=CC=C1

PubChem CID 8698
CAS 136-60-7
Molecular Weight (g/mol) 178.23
MDL Number MFCD00009439
SMILES CCCCOC(=O)C1=CC=CC=C1
Synonym n-butyl benzoate,benzoic acid, butyl ester,anthrapole az,benzoic acid butyl ester,dai cari xbn,benzoic acid n-butyl ester,butylester kyseliny benzoove,butylbenzoate,unii-1tgz0d0o8i,butylester kyseliny benzoove czech
IUPAC Name butyl benzoate
InChI Key XSIFPSYPOVKYCO-UHFFFAOYSA-N
Molecular Formula C11H14O2
6,243

Isoamyl Salicylate (contains 2-Methylbutyl Salicylate), TCI America™

CAS: 87-20-7 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD00020037 InChI Key: PMGCQNGBLMMXEW-UHFFFAOYSA-N Synonym: Isopentyl Salicylate, Salicylic Acid Isoamyl Ester, Isopentyl 2-Hydroxybenzoate PubChem CID: 6874 IUPAC Name: 3-methylbutyl 2-hydroxybenzoate SMILES: CC(C)CCOC(=O)C1=CC=CC=C1O

PubChem CID 6874
CAS 87-20-7
Molecular Weight (g/mol) 208.257
MDL Number MFCD00020037
SMILES CC(C)CCOC(=O)C1=CC=CC=C1O
Synonym Isopentyl Salicylate, Salicylic Acid Isoamyl Ester, Isopentyl 2-Hydroxybenzoate
IUPAC Name 3-methylbutyl 2-hydroxybenzoate
InChI Key PMGCQNGBLMMXEW-UHFFFAOYSA-N
Molecular Formula C12H16O3
6,244

4-Iodobenzotrifluoride (stabilized with Copper chip) 97.0+%, TCI America™

CAS: 455-13-0 Molecular Formula: C7H4F3I Molecular Weight (g/mol): 272.009 MDL Number: MFCD00039398 InChI Key: SKGRFPGOGCHDPC-UHFFFAOYSA-N Synonym: 4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene PubChem CID: 67993 IUPAC Name: 1-iodo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)I

PubChem CID 67993
CAS 455-13-0
Molecular Weight (g/mol) 272.009
MDL Number MFCD00039398
SMILES C1=CC(=CC=C1C(F)(F)F)I
Synonym 4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene
IUPAC Name 1-iodo-4-(trifluoromethyl)benzene
InChI Key SKGRFPGOGCHDPC-UHFFFAOYSA-N
Molecular Formula C7H4F3I
6,245

Fluconazole 98.0+%, TCI America™

CAS: 86386-73-4 Molecular Formula: C13H12F2N6O Molecular Weight (g/mol): 306.277 InChI Key: RFHAOTPXVQNOHP-UHFFFAOYSA-N Synonym: fluconazole,diflucan,triflucan,elazor,biozolene,biocanol,fungata,fluconazol,fluconazolum,flucazol PubChem CID: 3365 ChEBI: CHEBI:46081 IUPAC Name: 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol SMILES: C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O

PubChem CID 3365
CAS 86386-73-4
Molecular Weight (g/mol) 306.277
ChEBI CHEBI:46081
SMILES C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
Synonym fluconazole,diflucan,triflucan,elazor,biozolene,biocanol,fungata,fluconazol,fluconazolum,flucazol
IUPAC Name 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
InChI Key RFHAOTPXVQNOHP-UHFFFAOYSA-N
Molecular Formula C13H12F2N6O
6,246

3-Nitrophenylhydrazine Hydrochloride 98.0+%, TCI America™

CAS: 636-95-3 Molecular Formula: C6H8ClN3O2 Molecular Weight (g/mol): 189.599 MDL Number: MFCD00012939 InChI Key: BKOYKMLGFFASBG-UHFFFAOYSA-N Synonym: 3-nitrophenylhydrazine hydrochloride,3-nitrophenyl hydrazine hydrochloride,3-nitrophenylhydrazinium 1+ chloride,hydrazine, 3-nitrophenyl-, monohydrochloride,m-nitrophenylhydrazine hydrochloride,pubchem20000,acmc-1b1e3,ksc491e2l,m-nitrophenylhydrazine hcl PubChem CID: 5464285 IUPAC Name: (3-nitrophenyl)hydrazine;hydrochloride SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])NN.Cl

PubChem CID 5464285
CAS 636-95-3
Molecular Weight (g/mol) 189.599
MDL Number MFCD00012939
SMILES C1=CC(=CC(=C1)[N+](=O)[O-])NN.Cl
Synonym 3-nitrophenylhydrazine hydrochloride,3-nitrophenyl hydrazine hydrochloride,3-nitrophenylhydrazinium 1+ chloride,hydrazine, 3-nitrophenyl-, monohydrochloride,m-nitrophenylhydrazine hydrochloride,pubchem20000,acmc-1b1e3,ksc491e2l,m-nitrophenylhydrazine hcl
IUPAC Name (3-nitrophenyl)hydrazine;hydrochloride
InChI Key BKOYKMLGFFASBG-UHFFFAOYSA-N
Molecular Formula C6H8ClN3O2
6,247

5-Nitroguaiacol 98.0+%, TCI America™

CAS: 636-93-1 Molecular Formula: C7H7NO4 Molecular Weight (g/mol): 169.136 MDL Number: MFCD00015561 InChI Key: KXKCTSZYNCDFFG-UHFFFAOYSA-N Synonym: 5-nitroguaiacol,phenol, 2-methoxy-5-nitro,3-hydroxy-4-methoxynitrobenzene,2-methoxy-5-nitro-phenol,unii-e5t11i2jub,e5t11i2jub,2-hydroxy-4-nitroanisole,acmc-1b3lw,2-methoxy-5-nitro phenol,2-methyloxy-5-nitrophenol PubChem CID: 69471 ChEBI: CHEBI:81049 IUPAC Name: 2-methoxy-5-nitrophenol SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])O

PubChem CID 69471
CAS 636-93-1
Molecular Weight (g/mol) 169.136
ChEBI CHEBI:81049
MDL Number MFCD00015561
SMILES COC1=C(C=C(C=C1)[N+](=O)[O-])O
Synonym 5-nitroguaiacol,phenol, 2-methoxy-5-nitro,3-hydroxy-4-methoxynitrobenzene,2-methoxy-5-nitro-phenol,unii-e5t11i2jub,e5t11i2jub,2-hydroxy-4-nitroanisole,acmc-1b3lw,2-methoxy-5-nitro phenol,2-methyloxy-5-nitrophenol
IUPAC Name 2-methoxy-5-nitrophenol
InChI Key KXKCTSZYNCDFFG-UHFFFAOYSA-N
Molecular Formula C7H7NO4
6,248

4-Benzylbiphenyl 99.0+%, TCI America™

CAS: 613-42-3 Molecular Formula: C19H16 Molecular Weight (g/mol): 244.34 MDL Number: MFCD00041831 InChI Key: AGPLQTQFIZBOLI-UHFFFAOYSA-N Synonym: 4-benzylbiphenyl,4-phenylmethyl-1,1'-biphenyl,1,1'-biphenyl, 4-phenylmethyl,benzylbiphenyl,p-benzylbiphenyl,4-phenyldiphenylmethane,1-phenyl-4-benzylbenzene,1, 4-phenylmethyl,acmc-1bh4u,1-benzyl-4-phenyl-benzene PubChem CID: 69174 IUPAC Name: 4-benzyl-1,1'-biphenyl SMILES: C(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1

PubChem CID 69174
CAS 613-42-3
Molecular Weight (g/mol) 244.34
MDL Number MFCD00041831
SMILES C(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1
Synonym 4-benzylbiphenyl,4-phenylmethyl-1,1'-biphenyl,1,1'-biphenyl, 4-phenylmethyl,benzylbiphenyl,p-benzylbiphenyl,4-phenyldiphenylmethane,1-phenyl-4-benzylbenzene,1, 4-phenylmethyl,acmc-1bh4u,1-benzyl-4-phenyl-benzene
IUPAC Name 4-benzyl-1,1'-biphenyl
InChI Key AGPLQTQFIZBOLI-UHFFFAOYSA-N
Molecular Formula C19H16
6,249

4-Aminophenol Hydrochloride 98.0+%, TCI America™

CAS: 51-78-5 Molecular Formula: C6H8ClNO Molecular Weight (g/mol): 145.586 MDL Number: MFCD00012996 InChI Key: RVGOBWDGAVAVPJ-UHFFFAOYSA-N Synonym: 4-aminophenol hydrochloride,futramine p,p-aminophenol hydrochloride,4-hydroxyanilinium chloride,fouramine cp,fourrine p,durafur brown r,pelagol cp,peltol p,pelagol grey cp PubChem CID: 5828 IUPAC Name: 4-aminophenol;hydrochloride SMILES: C1=CC(=CC=C1N)O.Cl

PubChem CID 5828
CAS 51-78-5
Molecular Weight (g/mol) 145.586
MDL Number MFCD00012996
SMILES C1=CC(=CC=C1N)O.Cl
Synonym 4-aminophenol hydrochloride,futramine p,p-aminophenol hydrochloride,4-hydroxyanilinium chloride,fouramine cp,fourrine p,durafur brown r,pelagol cp,peltol p,pelagol grey cp
IUPAC Name 4-aminophenol;hydrochloride
InChI Key RVGOBWDGAVAVPJ-UHFFFAOYSA-N
Molecular Formula C6H8ClNO
6,250

2-Ethylphenol 98.0+%, TCI America™

CAS: 90-00-6 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00002249 InChI Key: IXQGCWUGDFDQMF-UHFFFAOYSA-N Synonym: o-ethylphenol,phlorol,phenol, 2-ethyl,phenol, o-ethyl,ethylphenol,1-ethyl-2-hydroxybenzene,1-hydroxy-2-ethylbenzene,phenol, ethyl,florol,o-ethyl phenol PubChem CID: 6997 ChEBI: CHEBI:34275 IUPAC Name: 2-ethylphenol SMILES: CCC1=CC=CC=C1O

PubChem CID 6997
CAS 90-00-6
Molecular Weight (g/mol) 122.17
ChEBI CHEBI:34275
MDL Number MFCD00002249
SMILES CCC1=CC=CC=C1O
Synonym o-ethylphenol,phlorol,phenol, 2-ethyl,phenol, o-ethyl,ethylphenol,1-ethyl-2-hydroxybenzene,1-hydroxy-2-ethylbenzene,phenol, ethyl,florol,o-ethyl phenol
IUPAC Name 2-ethylphenol
InChI Key IXQGCWUGDFDQMF-UHFFFAOYSA-N
Molecular Formula C8H10O
6,251

2-Methoxy-4-methylphenol 98.0+%, TCI America™

CAS: 93-51-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00002378 InChI Key: PETRWTHZSKVLRE-UHFFFAOYSA-N Synonym: creosol,4-methylguaiacol,2-methoxy-p-cresol,homoguaiacol,p-methylguaiacol,phenol, 2-methoxy-4-methyl,p-creosol,4-methyl guaiacol,2-methoxy-4-cresol,4-hydroxy-3-methoxytoluene PubChem CID: 7144 IUPAC Name: 2-methoxy-4-methylphenol SMILES: CC1=CC(=C(C=C1)O)OC

PubChem CID 7144
CAS 93-51-6
Molecular Weight (g/mol) 138.166
MDL Number MFCD00002378
SMILES CC1=CC(=C(C=C1)O)OC
Synonym creosol,4-methylguaiacol,2-methoxy-p-cresol,homoguaiacol,p-methylguaiacol,phenol, 2-methoxy-4-methyl,p-creosol,4-methyl guaiacol,2-methoxy-4-cresol,4-hydroxy-3-methoxytoluene
IUPAC Name 2-methoxy-4-methylphenol
InChI Key PETRWTHZSKVLRE-UHFFFAOYSA-N
Molecular Formula C8H10O2
6,252

4-Ethylphenol 97.0+%, TCI America™

CAS: 123-07-9 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00002393 InChI Key: HXDOZKJGKXYMEW-UHFFFAOYSA-N Synonym: p-ethylphenol,phenol, 4-ethyl,1-ethyl-4-hydroxybenzene,phenol, p-ethyl,1-hydroxy-4-ethylbenzene,para-ethylphenol,4-hydroxyphenylethane,4-ethyl-phenol,4-hydroxyethylbenzene,paraethylphenol PubChem CID: 31242 ChEBI: CHEBI:49584 IUPAC Name: 4-ethylphenol SMILES: CCC1=CC=C(C=C1)O

PubChem CID 31242
CAS 123-07-9
Molecular Weight (g/mol) 122.167
ChEBI CHEBI:49584
MDL Number MFCD00002393
SMILES CCC1=CC=C(C=C1)O
Synonym p-ethylphenol,phenol, 4-ethyl,1-ethyl-4-hydroxybenzene,phenol, p-ethyl,1-hydroxy-4-ethylbenzene,para-ethylphenol,4-hydroxyphenylethane,4-ethyl-phenol,4-hydroxyethylbenzene,paraethylphenol
IUPAC Name 4-ethylphenol
InChI Key HXDOZKJGKXYMEW-UHFFFAOYSA-N
Molecular Formula C8H10O
6,253

m-Cresol 98.0+%, TCI America™

CAS: 108-39-4 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00002302 InChI Key: RLSSMJSEOOYNOY-UHFFFAOYSA-N Synonym: m-cresol,metacresol,meta-cresol,phenol, 3-methyl,3-hydroxytoluene,m-methylphenol,3-cresol,m-kresol,m-oxytoluene,m-toluol PubChem CID: 342 ChEBI: CHEBI:17231 IUPAC Name: 3-methylphenol SMILES: CC1=CC(=CC=C1)O

PubChem CID 342
CAS 108-39-4
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17231
MDL Number MFCD00002302
SMILES CC1=CC(=CC=C1)O
Synonym m-cresol,metacresol,meta-cresol,phenol, 3-methyl,3-hydroxytoluene,m-methylphenol,3-cresol,m-kresol,m-oxytoluene,m-toluol
IUPAC Name 3-methylphenol
InChI Key RLSSMJSEOOYNOY-UHFFFAOYSA-N
Molecular Formula C7H8O
6,254

4,4'-Difluorobenzophenone 99.0+%, TCI America™

CAS: 345-92-6 Molecular Formula: C13H8F2O Molecular Weight (g/mol): 218.20 MDL Number: MFCD00000353 InChI Key: LSQARZALBDFYQZ-UHFFFAOYSA-N Synonym: 4,4'-difluorobenzophenone,bis 4-fluorophenyl methanone,bis 4-fluorophenyl-methanone,methanone, bis 4-fluorophenyl,p,p'-difluorobenzophenone,di-p-fluorophenyl ketone,bis p-fluorophenyl ketone,bis 4-fluorophenyl ketone,benzophenone, 4,4'-difluoro,unii-88bnc11b9c PubChem CID: 9582 IUPAC Name: bis(4-fluorophenyl)methanone SMILES: FC1=CC=C(C=C1)C(=O)C1=CC=C(F)C=C1

PubChem CID 9582
CAS 345-92-6
Molecular Weight (g/mol) 218.20
MDL Number MFCD00000353
SMILES FC1=CC=C(C=C1)C(=O)C1=CC=C(F)C=C1
Synonym 4,4'-difluorobenzophenone,bis 4-fluorophenyl methanone,bis 4-fluorophenyl-methanone,methanone, bis 4-fluorophenyl,p,p'-difluorobenzophenone,di-p-fluorophenyl ketone,bis p-fluorophenyl ketone,bis 4-fluorophenyl ketone,benzophenone, 4,4'-difluoro,unii-88bnc11b9c
IUPAC Name bis(4-fluorophenyl)methanone
InChI Key LSQARZALBDFYQZ-UHFFFAOYSA-N
Molecular Formula C13H8F2O
6,255

Thioanisole 99.0+%, TCI America™

CAS: 100-68-5 Molecular Formula: C7H8S Molecular Weight (g/mol): 124.201 MDL Number: MFCD00008559 InChI Key: HNKJADCVZUBCPG-UHFFFAOYSA-N Synonym: thioanisole,methyl phenyl sulfide,methylthio benzene,thioanisol,benzene, methylthio,phenylthiomethane,phenyl methyl sulfide,methylsulfanyl benzene,methylphenylsulfide,1-thiaethyl benzene PubChem CID: 7520 IUPAC Name: methylsulfanylbenzene SMILES: CSC1=CC=CC=C1

PubChem CID 7520
CAS 100-68-5
Molecular Weight (g/mol) 124.201
MDL Number MFCD00008559
SMILES CSC1=CC=CC=C1
Synonym thioanisole,methyl phenyl sulfide,methylthio benzene,thioanisol,benzene, methylthio,phenylthiomethane,phenyl methyl sulfide,methylsulfanyl benzene,methylphenylsulfide,1-thiaethyl benzene
IUPAC Name methylsulfanylbenzene
InChI Key HNKJADCVZUBCPG-UHFFFAOYSA-N
Molecular Formula C7H8S