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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 (129,841)
Phenols (24,878)
Naphthalenes (6,294)
Phenol esters (4,685)
Unsubstituted Phenols (1,453)
Fluorenes (1,297)
Thiophenols (748)
Anthracenes (509)
Indanes (489)
Phenanthrenes and derivatives (364)
Tetralins (340)
Pyrenes (281)
Triphenyl compounds (280)
Dibenzocycloheptenes (60)
Naphthacenes (35)
Ellagic acids and derivatives (33)
Pentacenes (20)
Acenaphthylenes (17)
Pentacenequinones (16)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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1,306 – 1,320 of 158,365 results
1,306
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1-Phenylsemicarbazide, 99%

CAS: 103-03-7 Molecular Formula: C7H9N3O Molecular Weight (g/mol): 151.17 MDL Number: MFCD00007942 InChI Key: AVKHCKXGKPAGEI-UHFFFAOYSA-N Synonym: phenicarbazide,1-phenylsemicarbazide,2-phenylhydrazinecarboxamide,phenicarbazid,phenylsemicarbazide,carbaphen,kryogenin,phenygenine,febrimin,1-carbamyl-2-phenylhydrazine PubChem CID: 61002 ChEBI: CHEBI:82521 IUPAC Name: anilinourea SMILES: NC(=O)NNC1=CC=CC=C1

PubChem CID 61002
CAS 103-03-7
Molecular Weight (g/mol) 151.17
ChEBI CHEBI:82521
MDL Number MFCD00007942
SMILES NC(=O)NNC1=CC=CC=C1
Synonym phenicarbazide,1-phenylsemicarbazide,2-phenylhydrazinecarboxamide,phenicarbazid,phenylsemicarbazide,carbaphen,kryogenin,phenygenine,febrimin,1-carbamyl-2-phenylhydrazine
IUPAC Name anilinourea
InChI Key AVKHCKXGKPAGEI-UHFFFAOYSA-N
Molecular Formula C7H9N3O
1,307
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2-(Methylthio)naphthalene, 98%

CAS: 7433-79-6 Molecular Formula: C11H10S Molecular Weight (g/mol): 174.261 MDL Number: MFCD00051615 InChI Key: SSKUUDUKJMIOKQ-UHFFFAOYSA-N Synonym: 2-methylthio naphthalene,2-methylmercaptonaphthalene,2-methylsulfanyl naphthalene,2-methylthionaphthalene,methyl2-naphthylsulfide,methyl 2-naphthyl sulfide,naphth-2-yl methyl thioether,naphthalene,2-methylthio,methyl naphthalen-2-yl sulfane PubChem CID: 139022 IUPAC Name: 2-methylsulfanylnaphthalene SMILES: CSC1=CC2=CC=CC=C2C=C1

PubChem CID 139022
CAS 7433-79-6
Molecular Weight (g/mol) 174.261
MDL Number MFCD00051615
SMILES CSC1=CC2=CC=CC=C2C=C1
Synonym 2-methylthio naphthalene,2-methylmercaptonaphthalene,2-methylsulfanyl naphthalene,2-methylthionaphthalene,methyl2-naphthylsulfide,methyl 2-naphthyl sulfide,naphth-2-yl methyl thioether,naphthalene,2-methylthio,methyl naphthalen-2-yl sulfane
IUPAC Name 2-methylsulfanylnaphthalene
InChI Key SSKUUDUKJMIOKQ-UHFFFAOYSA-N
Molecular Formula C11H10S
1,308
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4-Cyanostyrene, 95%, stabilized

CAS: 3435-51-6 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.16 MDL Number: MFCD00080445 InChI Key: SNTUCKQYWGHZPK-UHFFFAOYSA-N PubChem CID: 76967 IUPAC Name: 4-ethenylbenzonitrile SMILES: C=CC1=CC=C(C=C1)C#N

PubChem CID 76967
CAS 3435-51-6
Molecular Weight (g/mol) 129.16
MDL Number MFCD00080445
SMILES C=CC1=CC=C(C=C1)C#N
IUPAC Name 4-ethenylbenzonitrile
InChI Key SNTUCKQYWGHZPK-UHFFFAOYSA-N
Molecular Formula C9H7N
1,309
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4-(Trifluoromethoxy)benzyl bromide, 98%, Thermo Scientific™

CAS: 50824-05-0 Molecular Formula: C8H6BrF3O Molecular Weight (g/mol): 255.03 MDL Number: MFCD00061238 InChI Key: JDNPUJCKXLOHOW-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy benzyl bromide,1-bromomethyl-4-trifluoromethoxy benzene,4-trifluoromethoxybenzyl bromide,4-trifluoromethoxy benzylbromide,p-trifluoromethoxy benzyl bromide,alpha-bromo-4-trifluoromethoxy toluene,benzene, 1-bromomethyl-4-trifluoromethoxy,4-trifluoromethoxy-benzyl bromide,4-bromomethyl phenoxy trifluoromethane,1-bromomethyl-4-trifluoromethoxy-benzene PubChem CID: 142785 IUPAC Name: 1-(bromomethyl)-4-(trifluoromethoxy)benzene SMILES: C1=CC(=CC=C1CBr)OC(F)(F)F

PubChem CID 142785
CAS 50824-05-0
Molecular Weight (g/mol) 255.03
MDL Number MFCD00061238
SMILES C1=CC(=CC=C1CBr)OC(F)(F)F
Synonym 4-trifluoromethoxy benzyl bromide,1-bromomethyl-4-trifluoromethoxy benzene,4-trifluoromethoxybenzyl bromide,4-trifluoromethoxy benzylbromide,p-trifluoromethoxy benzyl bromide,alpha-bromo-4-trifluoromethoxy toluene,benzene, 1-bromomethyl-4-trifluoromethoxy,4-trifluoromethoxy-benzyl bromide,4-bromomethyl phenoxy trifluoromethane,1-bromomethyl-4-trifluoromethoxy-benzene
IUPAC Name 1-(bromomethyl)-4-(trifluoromethoxy)benzene
InChI Key JDNPUJCKXLOHOW-UHFFFAOYSA-N
Molecular Formula C8H6BrF3O
1,310
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3,5-Bis(trifluoromethyl)benzylamine, 95%

CAS: 85068-29-7 Molecular Formula: C9H7F6N Molecular Weight (g/mol): 243.15 MDL Number: MFCD00009909 InChI Key: DHVHORCFFOSRBP-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzylamine,3,5-bis trifluoromethyl phenyl methanamine,3,5-di trifluoromethyl benzylamine,3,5-ditrifluoromethylbenzylamine,mbt-bym,3,5-bis trifluoromethyl phenyl methylamine,benzenemethanamine, 3,5-bis trifluoromethyl,3,5-bis-trifluoromethyl-benzylamine PubChem CID: 521099 IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methanamine SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN

PubChem CID 521099
CAS 85068-29-7
Molecular Weight (g/mol) 243.15
MDL Number MFCD00009909
SMILES C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN
Synonym 3,5-bis trifluoromethyl benzylamine,3,5-bis trifluoromethyl phenyl methanamine,3,5-di trifluoromethyl benzylamine,3,5-ditrifluoromethylbenzylamine,mbt-bym,3,5-bis trifluoromethyl phenyl methylamine,benzenemethanamine, 3,5-bis trifluoromethyl,3,5-bis-trifluoromethyl-benzylamine
IUPAC Name [3,5-bis(trifluoromethyl)phenyl]methanamine
InChI Key DHVHORCFFOSRBP-UHFFFAOYSA-N
Molecular Formula C9H7F6N
1,311
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3,4-Dimethylthiophenol, 98%, Thermo Scientific™

CAS: 18800-53-8 Molecular Formula: C8H10S Molecular Weight (g/mol): 138.23 MDL Number: MFCD00010023 InChI Key: IDKCKPBAFOIONK-UHFFFAOYSA-N Synonym: 3,4-dimethylthiophenol,benzenethiol, 3,4-dimethyl,3,4-dimethyl thiophenol,o-xylene-4-thiol,4-mercapto-o-xylene,3,4-dimethylbenzene-1-thiol,pubchem6812,3,4-dimethyl-thiophenol,acmc-1bu1r,3,4-dimethyl-benzenethiol PubChem CID: 87799 IUPAC Name: 3,4-dimethylbenzenethiol SMILES: CC1=C(C=C(C=C1)S)C

PubChem CID 87799
CAS 18800-53-8
Molecular Weight (g/mol) 138.23
MDL Number MFCD00010023
SMILES CC1=C(C=C(C=C1)S)C
Synonym 3,4-dimethylthiophenol,benzenethiol, 3,4-dimethyl,3,4-dimethyl thiophenol,o-xylene-4-thiol,4-mercapto-o-xylene,3,4-dimethylbenzene-1-thiol,pubchem6812,3,4-dimethyl-thiophenol,acmc-1bu1r,3,4-dimethyl-benzenethiol
IUPAC Name 3,4-dimethylbenzenethiol
InChI Key IDKCKPBAFOIONK-UHFFFAOYSA-N
Molecular Formula C8H10S
1,312
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2-Fluoro-4-hydroxybenzoic acid, 98%, Thermo Scientific™

CAS: 65145-13-3 Molecular Formula: C7H5FO3 Molecular Weight (g/mol): 156.11 MDL Number: MFCD01310985 InChI Key: NXWTWYULZRDBSA-UHFFFAOYSA-N Synonym: 2-fluoro-4-hydroxy-benzoic acid,benzoic acid, 2-fluoro-4-hydroxy,pubchem2608,acmc-1b9jp,4-hydroxyfluorobenzoic acid,frinton fr-2445,ksc352q5p,2-fluoro-4-hydroxybenzoicacid,4-hydroxy-2-fluorobenzoic acid,2-fluoro4-hydroxy-benzoic acid PubChem CID: 2783398 IUPAC Name: 2-fluoro-4-hydroxybenzoic acid SMILES: OC(=O)C1=C(F)C=C(O)C=C1

PubChem CID 2783398
CAS 65145-13-3
Molecular Weight (g/mol) 156.11
MDL Number MFCD01310985
SMILES OC(=O)C1=C(F)C=C(O)C=C1
Synonym 2-fluoro-4-hydroxy-benzoic acid,benzoic acid, 2-fluoro-4-hydroxy,pubchem2608,acmc-1b9jp,4-hydroxyfluorobenzoic acid,frinton fr-2445,ksc352q5p,2-fluoro-4-hydroxybenzoicacid,4-hydroxy-2-fluorobenzoic acid,2-fluoro4-hydroxy-benzoic acid
IUPAC Name 2-fluoro-4-hydroxybenzoic acid
InChI Key NXWTWYULZRDBSA-UHFFFAOYSA-N
Molecular Formula C7H5FO3
1,313

Econazole, 99%, Thermo Scientific Chemicals

CAS: 27220-47-9 Molecular Formula: C18H15Cl3N2O Molecular Weight (g/mol): 381.68 MDL Number: MFCD00800993,MFCD00058160 (.HNO3) InChI Key: LEZWWPYKPKIXLL-UHFFFAOYNA-N Synonym: econazole,ecostatin,econazolum,pevaryl,gyno-pevaryl,econazol,palavale,spectazole,+--econazole,ecostatin cream PubChem CID: 3198 ChEBI: CHEBI:82873 IUPAC Name: 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole SMILES: ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1

PubChem CID 3198
CAS 27220-47-9
Molecular Weight (g/mol) 381.68
ChEBI CHEBI:82873
MDL Number MFCD00800993,MFCD00058160 (.HNO3)
SMILES ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1
Synonym econazole,ecostatin,econazolum,pevaryl,gyno-pevaryl,econazol,palavale,spectazole,+--econazole,ecostatin cream
IUPAC Name 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
InChI Key LEZWWPYKPKIXLL-UHFFFAOYNA-N
Molecular Formula C18H15Cl3N2O
1,314
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2-Chloro-4-fluorophenylacetonitrile, 97%

CAS: 75279-56-0 Molecular Formula: C8H5ClFN Molecular Weight (g/mol): 169.583 MDL Number: MFCD00236029 InChI Key: GSMCLMKFBYLWRP-UHFFFAOYSA-N Synonym: 2-chloro-4-fluorophenylacetonitrile,2-chloro-4-fluorobenzyl cyanide,2-2-chloro-4-fluorophenyl acetonitrile,2-chloro-4-fluorobenzylcyanide,benzeneacetonitrile, 2-chloro-4-fluoro,2-chloro-fluorophenylacetonitrile,2-chloro-4-fluorophenyl acetonitrile,2-2-chloro-4-fluorophenyl ethanenitrile,pubchem4251 PubChem CID: 2725063 IUPAC Name: 2-(2-chloro-4-fluorophenyl)acetonitrile SMILES: C1=CC(=C(C=C1F)Cl)CC#N

PubChem CID 2725063
CAS 75279-56-0
Molecular Weight (g/mol) 169.583
MDL Number MFCD00236029
SMILES C1=CC(=C(C=C1F)Cl)CC#N
Synonym 2-chloro-4-fluorophenylacetonitrile,2-chloro-4-fluorobenzyl cyanide,2-2-chloro-4-fluorophenyl acetonitrile,2-chloro-4-fluorobenzylcyanide,benzeneacetonitrile, 2-chloro-4-fluoro,2-chloro-fluorophenylacetonitrile,2-chloro-4-fluorophenyl acetonitrile,2-2-chloro-4-fluorophenyl ethanenitrile,pubchem4251
IUPAC Name 2-(2-chloro-4-fluorophenyl)acetonitrile
InChI Key GSMCLMKFBYLWRP-UHFFFAOYSA-N
Molecular Formula C8H5ClFN
1,315
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2,4-Bis(trifluoromethyl)benzoic acid, 98%, Thermo Scientific™

CAS: 32890-87-2 Molecular Formula: C9H4F6O2 Molecular Weight (g/mol): 258.12 MDL Number: MFCD00042496 InChI Key: JTOIZLCQNWWDCN-UHFFFAOYSA-N Synonym: 2,4-bis trifluoromethyl benzoic acid,2,4-bis-trifluoromethylbenzoic acid,2,4-di trifluoromethyl benzoic acid,benzoic acid, 2,4-bis trifluoromethyl,2,4-bis-trifluoromethyl-benzoic acid,maybridge4_003283,acmc-20aoeb,pubchem8491,rarechem al bo 0512 PubChem CID: 141752 IUPAC Name: 2,4-bis(trifluoromethyl)benzoic acid SMILES: C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)O

PubChem CID 141752
CAS 32890-87-2
Molecular Weight (g/mol) 258.12
MDL Number MFCD00042496
SMILES C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)O
Synonym 2,4-bis trifluoromethyl benzoic acid,2,4-bis-trifluoromethylbenzoic acid,2,4-di trifluoromethyl benzoic acid,benzoic acid, 2,4-bis trifluoromethyl,2,4-bis-trifluoromethyl-benzoic acid,maybridge4_003283,acmc-20aoeb,pubchem8491,rarechem al bo 0512
IUPAC Name 2,4-bis(trifluoromethyl)benzoic acid
InChI Key JTOIZLCQNWWDCN-UHFFFAOYSA-N
Molecular Formula C9H4F6O2
1,316
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(R)-(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, 99%

CAS: 20445-31-2 Molecular Formula: C10H9F3O3 Molecular Weight (g/mol): 234.17 MDL Number: MFCD00004184 InChI Key: JJYKJUXBWFATTE-UHFFFAOYNA-N Synonym: +-mtpa,unii-27o5l9t1wm,r-moshers acid,+-mosher's acid,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,r-+-alpha-methoxy-alpha-trifluoromethylphenylacetic acid,r-mtpa,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,r-+-a-methoxy-a-trifluoromethylphenylacetic acid,r-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid PubChem CID: 2723917 IUPAC Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid SMILES: COC(C(O)=O)(C1=CC=CC=C1)C(F)(F)F

PubChem CID 2723917
CAS 20445-31-2
Molecular Weight (g/mol) 234.17
MDL Number MFCD00004184
SMILES COC(C(O)=O)(C1=CC=CC=C1)C(F)(F)F
Synonym +-mtpa,unii-27o5l9t1wm,r-moshers acid,+-mosher's acid,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,r-+-alpha-methoxy-alpha-trifluoromethylphenylacetic acid,r-mtpa,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,r-+-a-methoxy-a-trifluoromethylphenylacetic acid,r-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid
IUPAC Name (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid
InChI Key JJYKJUXBWFATTE-UHFFFAOYNA-N
Molecular Formula C10H9F3O3
1,317
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2-(Trifluoromethyl)benzylamine, 98%

CAS: 3048-01-9 Molecular Formula: C8H8F3N Molecular Weight (g/mol): 175.16 MDL Number: MFCD00010297 InChI Key: ZSKQIFWUTUZAGF-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzylamine,2-trifluoromethylbenzylamine,2-trifluoromethyl phenyl methanamine,o-trifluoromethylbenzyl amine,o-trifluoromethylbenzylamine,2-trifluoromethyl-benzylamine,1-2-trifluoromethyl phenyl methanamine,benzenemethanamine, 2-trifluoromethyl,o-trifluoromethyl benzylamine PubChem CID: 76447 IUPAC Name: [2-(trifluoromethyl)phenyl]methanamine SMILES: C1=CC=C(C(=C1)CN)C(F)(F)F

PubChem CID 76447
CAS 3048-01-9
Molecular Weight (g/mol) 175.16
MDL Number MFCD00010297
SMILES C1=CC=C(C(=C1)CN)C(F)(F)F
Synonym 2-trifluoromethyl benzylamine,2-trifluoromethylbenzylamine,2-trifluoromethyl phenyl methanamine,o-trifluoromethylbenzyl amine,o-trifluoromethylbenzylamine,2-trifluoromethyl-benzylamine,1-2-trifluoromethyl phenyl methanamine,benzenemethanamine, 2-trifluoromethyl,o-trifluoromethyl benzylamine
IUPAC Name [2-(trifluoromethyl)phenyl]methanamine
InChI Key ZSKQIFWUTUZAGF-UHFFFAOYSA-N
Molecular Formula C8H8F3N
1,318

Thermo Scientific Chemicals Efaproxiral sodium, 98%

CAS: 170787-99-2 Molecular Formula: C20H22NNaO4 Molecular Weight (g/mol): 363.38 InChI Key: SWDPIHPGORBMFR-UHFFFAOYSA-M Synonym: efaproxiral sodium,sodium 2-4-2-3,5-dimethylphenyl amino-2-oxoethyl phenoxy-2-methylpropanoate,rsr 13 sodium,unii-3l83qp52xi,rsr13 sodium,efaproxiral sodium usan,rsr-13 PubChem CID: 2725048 IUPAC Name: sodium;2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoate SMILES: CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(C)(C)C(=O)[O-])C.[Na+]

PubChem CID 2725048
CAS 170787-99-2
Molecular Weight (g/mol) 363.38
SMILES CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(C)(C)C(=O)[O-])C.[Na+]
Synonym efaproxiral sodium,sodium 2-4-2-3,5-dimethylphenyl amino-2-oxoethyl phenoxy-2-methylpropanoate,rsr 13 sodium,unii-3l83qp52xi,rsr13 sodium,efaproxiral sodium usan,rsr-13
IUPAC Name sodium;2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoate
InChI Key SWDPIHPGORBMFR-UHFFFAOYSA-M
Molecular Formula C20H22NNaO4
1,319
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3-Hydroxy-2,4,6-triiodobenzoic acid, 97%

CAS: 53279-72-4 Molecular Formula: C7H3I3O3 Molecular Weight (g/mol): 515.81 MDL Number: MFCD00020305 InChI Key: GIAVHGFPMPSIFI-UHFFFAOYSA-N Synonym: htba,2,4,6-triiodo-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-2,4,6-triiodo,3-hydroxy-2,4,6-triiodobenzoicacid,pubchem17410,acmc-1aozs,ksc496i6r,3 hydroxy-2,4,6-triiodobenzoic acid,3-hydroxy-2,4,6 triiodobenzoic acid PubChem CID: 96627 IUPAC Name: 3-hydroxy-2,4,6-triiodobenzoic acid SMILES: OC(=O)C1=C(I)C=C(I)C(O)=C1I

PubChem CID 96627
CAS 53279-72-4
Molecular Weight (g/mol) 515.81
MDL Number MFCD00020305
SMILES OC(=O)C1=C(I)C=C(I)C(O)=C1I
Synonym htba,2,4,6-triiodo-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-2,4,6-triiodo,3-hydroxy-2,4,6-triiodobenzoicacid,pubchem17410,acmc-1aozs,ksc496i6r,3 hydroxy-2,4,6-triiodobenzoic acid,3-hydroxy-2,4,6 triiodobenzoic acid
IUPAC Name 3-hydroxy-2,4,6-triiodobenzoic acid
InChI Key GIAVHGFPMPSIFI-UHFFFAOYSA-N
Molecular Formula C7H3I3O3
1,320
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2,2'-Dimethoxybiphenyl, 97%

CAS: 4877-93-4 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.26 MDL Number: MFCD00067073 InChI Key: VGMKUVCDINAAFC-UHFFFAOYSA-N PubChem CID: 611816 IUPAC Name: 1-methoxy-2-(2-methoxyphenyl)benzene SMILES: COC1=CC=CC=C1C1=CC=CC=C1OC

PubChem CID 611816
CAS 4877-93-4
Molecular Weight (g/mol) 214.26
MDL Number MFCD00067073
SMILES COC1=CC=CC=C1C1=CC=CC=C1OC
IUPAC Name 1-methoxy-2-(2-methoxyphenyl)benzene
InChI Key VGMKUVCDINAAFC-UHFFFAOYSA-N
Molecular Formula C14H14O2