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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 (65,402)
Phenols (12,144)
Naphthalenes (4,965)
Fluorenes (1,246)
Unsubstituted Phenols (1,180)
Thiophenols (613)
Phenol esters (434)
Anthracenes (402)
Tetralins (329)
Phenanthrenes and derivatives (300)
Indanes (297)
Triphenyl compounds (290)
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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Keyword Search:
7,096 – 7,110 of 74,565 results
7,096

2,2,4,4,6,8,8-Heptamethylnonane 97.0+%, TCI America™
SDP

CAS: 4390-04-9 Molecular Formula: C16H34 Molecular Weight (g/mol): 226.45 MDL Number: MFCD00008856 InChI Key: VCLJODPNBNEBKW-UHFFFAOYNA-N Synonym: isocetane,nonane, 2,2,4,4,6,8,8-heptamethyl,cyprane,pubchem16042,acmc-2097fb,dsstox_cid_30668,dsstox_gsid_52101,ksc492g9j,2,4,4,6,8,8-heptamethylnonane,nonane,2,4,4,6,8,8-heptamethyl PubChem CID: 20414 IUPAC Name: 2,2,4,4,6,8,8-heptamethylnonane SMILES: CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C

PubChem CID 20414
CAS 4390-04-9
Molecular Weight (g/mol) 226.45
MDL Number MFCD00008856
SMILES CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C
Synonym isocetane,nonane, 2,2,4,4,6,8,8-heptamethyl,cyprane,pubchem16042,acmc-2097fb,dsstox_cid_30668,dsstox_gsid_52101,ksc492g9j,2,4,4,6,8,8-heptamethylnonane,nonane,2,4,4,6,8,8-heptamethyl
IUPAC Name 2,2,4,4,6,8,8-heptamethylnonane
InChI Key VCLJODPNBNEBKW-UHFFFAOYNA-N
Molecular Formula C16H34
7,097

Betaxolol Hydrochloride 98.0+%, TCI America™
SDP

CAS: 63659-19-8 Molecular Formula: C18H30ClNO3 Molecular Weight (g/mol): 343.892 MDL Number: MFCD00242959 InChI Key: CHDPSNLJFOQTRK-UHFFFAOYSA-N Synonym: betaxolol hydrochloride,betaxolol hcl,betoptima,kerlone,betoptic,kerlon,lokren,betaxolo hydrochloride,betoptic s PubChem CID: 107952 ChEBI: CHEBI:643228 IUPAC Name: 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride SMILES: CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O.Cl

PubChem CID 107952
CAS 63659-19-8
Molecular Weight (g/mol) 343.892
ChEBI CHEBI:643228
MDL Number MFCD00242959
SMILES CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O.Cl
Synonym betaxolol hydrochloride,betaxolol hcl,betoptima,kerlone,betoptic,kerlon,lokren,betaxolo hydrochloride,betoptic s
IUPAC Name 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
InChI Key CHDPSNLJFOQTRK-UHFFFAOYSA-N
Molecular Formula C18H30ClNO3
7,098

2,3,6,7,10,11-Hexakis[(n-octyl)oxy]triphenylene 98.0+%, TCI America™
SDP

CAS: 70351-87-0 Molecular Formula: C66H108O6 Molecular Weight (g/mol): 997.58 MDL Number: MFCD20528916 InChI Key: IUFDADHEWRYRSP-UHFFFAOYSA-N PubChem CID: 15219108 IUPAC Name: 2,3,6,7,10,11-hexakis(octyloxy)triphenylene SMILES: CCCCCCCCOC1=C(OCCCCCCCC)C=C2C(=C1)C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C1C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C21

PubChem CID 15219108
CAS 70351-87-0
Molecular Weight (g/mol) 997.58
MDL Number MFCD20528916
SMILES CCCCCCCCOC1=C(OCCCCCCCC)C=C2C(=C1)C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C1C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C21
IUPAC Name 2,3,6,7,10,11-hexakis(octyloxy)triphenylene
InChI Key IUFDADHEWRYRSP-UHFFFAOYSA-N
Molecular Formula C66H108O6
7,099

2-Bromo-4-fluoro-1-iodobenzene 98.0+%, TCI America™
SDP

CAS: 202865-73-4 Molecular Formula: C6H3BrFI Molecular Weight (g/mol): 300.897 MDL Number: MFCD00142868 InChI Key: GKGPZAZTXZCUMU-UHFFFAOYSA-N Synonym: 2-bromo-4-fluoroiodobenzene,2-bromo-4-fluoro-1-iodo-benzene,2'-bromo-4-fluoro-1-iodobenzene,benzene, 2-bromo-4-fluoro-1-iodo,pubchem3234,acmc-1cll6,ksc495e7f,2-bromo-4-fluoro-iodobenzene,1-fluoro-3-bromo-4-iodobenzene PubChem CID: 2773372 IUPAC Name: 2-bromo-4-fluoro-1-iodobenzene SMILES: C1=CC(=C(C=C1F)Br)I

PubChem CID 2773372
CAS 202865-73-4
Molecular Weight (g/mol) 300.897
MDL Number MFCD00142868
SMILES C1=CC(=C(C=C1F)Br)I
Synonym 2-bromo-4-fluoroiodobenzene,2-bromo-4-fluoro-1-iodo-benzene,2'-bromo-4-fluoro-1-iodobenzene,benzene, 2-bromo-4-fluoro-1-iodo,pubchem3234,acmc-1cll6,ksc495e7f,2-bromo-4-fluoro-iodobenzene,1-fluoro-3-bromo-4-iodobenzene
IUPAC Name 2-bromo-4-fluoro-1-iodobenzene
InChI Key GKGPZAZTXZCUMU-UHFFFAOYSA-N
Molecular Formula C6H3BrFI
7,100

4-Methoxy-3-nitrotoluene 98.0+%, TCI America™
SDP

CAS: 119-10-8 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 MDL Number: MFCD00024540 InChI Key: LGNMURXRPLMVJI-UHFFFAOYSA-N Synonym: 1-Methoxy-4-methyl-2-nitrobenzene, 4-Methyl-2-nitroanisole PubChem CID: 67058 IUPAC Name: 1-methoxy-4-methyl-2-nitrobenzene SMILES: COC1=CC=C(C)C=C1[N+]([O-])=O

PubChem CID 67058
CAS 119-10-8
Molecular Weight (g/mol) 167.16
MDL Number MFCD00024540
SMILES COC1=CC=C(C)C=C1[N+]([O-])=O
Synonym 1-Methoxy-4-methyl-2-nitrobenzene, 4-Methyl-2-nitroanisole
IUPAC Name 1-methoxy-4-methyl-2-nitrobenzene
InChI Key LGNMURXRPLMVJI-UHFFFAOYSA-N
Molecular Formula C8H9NO3
7,101

Diphenyl alpha-Chlorobenzylphosphonate 98.0+%, TCI America™
SDP

CAS: 58263-67-5 Molecular Formula: C19H16ClO3P Molecular Weight (g/mol): 358.76 MDL Number: MFCD00159438 InChI Key: LTRZPFCYQMGZGD-UHFFFAOYNA-N Synonym: alpha-Chlorobenzylphosphonic Acid Diphenyl Ester PubChem CID: 277711 IUPAC Name: diphenyl [chloro(phenyl)methyl]phosphonate SMILES: ClC(C1=CC=CC=C1)P(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1

PubChem CID 277711
CAS 58263-67-5
Molecular Weight (g/mol) 358.76
MDL Number MFCD00159438
SMILES ClC(C1=CC=CC=C1)P(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1
Synonym alpha-Chlorobenzylphosphonic Acid Diphenyl Ester
IUPAC Name diphenyl [chloro(phenyl)methyl]phosphonate
InChI Key LTRZPFCYQMGZGD-UHFFFAOYNA-N
Molecular Formula C19H16ClO3P
7,102

3-Chlorobenzoic Acid 99.0+%, TCI America™
SDP

CAS: 535-80-8 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00002491 InChI Key: LULAYUGMBFYYEX-UHFFFAOYSA-N Synonym: m-chlorobenzoic acid,benzoic acid, 3-chloro,benzoic acid, m-chloro,3-chlorobenzoicacid,3-chloro-benzoic acid,m-chlorobenzoate,acido m-clorobenzoico,unii-02uoj7064k,mcba,ccris 5992 PubChem CID: 447 ChEBI: CHEBI:49410 IUPAC Name: 3-chlorobenzoic acid SMILES: C1=CC(=CC(=C1)Cl)C(=O)O

PubChem CID 447
CAS 535-80-8
Molecular Weight (g/mol) 156.565
ChEBI CHEBI:49410
MDL Number MFCD00002491
SMILES C1=CC(=CC(=C1)Cl)C(=O)O
Synonym m-chlorobenzoic acid,benzoic acid, 3-chloro,benzoic acid, m-chloro,3-chlorobenzoicacid,3-chloro-benzoic acid,m-chlorobenzoate,acido m-clorobenzoico,unii-02uoj7064k,mcba,ccris 5992
IUPAC Name 3-chlorobenzoic acid
InChI Key LULAYUGMBFYYEX-UHFFFAOYSA-N
Molecular Formula C7H5ClO2
7,103

4-Nitrostyrene (stabilized with TBC) 98.0+%, TCI America™
SDP

CAS: 100-13-0 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00041254 InChI Key: YFZHODLXYNDBSM-UHFFFAOYSA-N Synonym: 4-nitrostyrene,1-nitro-4-vinylbenzene,p-nitrostyrene,benzene, 1-ethenyl-4-nitro,ccris 1674,styrene, p-nitro,benzene, 1-ethenyl-4-nitro-9ci,nitrovinylbenzene,4-nitro-styrene,p-nitrophenylethylene PubChem CID: 7481 IUPAC Name: 1-ethenyl-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC=C(C=C)C=C1

PubChem CID 7481
CAS 100-13-0
Molecular Weight (g/mol) 149.15
MDL Number MFCD00041254
SMILES [O-][N+](=O)C1=CC=C(C=C)C=C1
Synonym 4-nitrostyrene,1-nitro-4-vinylbenzene,p-nitrostyrene,benzene, 1-ethenyl-4-nitro,ccris 1674,styrene, p-nitro,benzene, 1-ethenyl-4-nitro-9ci,nitrovinylbenzene,4-nitro-styrene,p-nitrophenylethylene
IUPAC Name 1-ethenyl-4-nitrobenzene
InChI Key YFZHODLXYNDBSM-UHFFFAOYSA-N
Molecular Formula C8H7NO2
7,104

Benzyl Phenyl Sulfone 98.0+%, TCI America™
SDP

CAS: 3112-88-7 Molecular Formula: C13H12O2S Molecular Weight (g/mol): 232.297 MDL Number: MFCD00025040 InChI Key: FABCMLOTUSCWOR-UHFFFAOYSA-N Synonym: benzyl phenyl sulfone,benzylsulfonyl benzene,sulfone, benzyl phenyl,benzylphenylsulfone,phenyl benzyl sulfone,benzyl phenyl sulphone,benzene, phenylmethyl sulfonyl,phenylmethyl sulfonyl benzene,phenylmethyl sulphonyl benzene,benzenesulfonyl methyl benzene PubChem CID: 76561 IUPAC Name: benzenesulfonylmethylbenzene SMILES: C1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC=C2

PubChem CID 76561
CAS 3112-88-7
Molecular Weight (g/mol) 232.297
MDL Number MFCD00025040
SMILES C1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC=C2
Synonym benzyl phenyl sulfone,benzylsulfonyl benzene,sulfone, benzyl phenyl,benzylphenylsulfone,phenyl benzyl sulfone,benzyl phenyl sulphone,benzene, phenylmethyl sulfonyl,phenylmethyl sulfonyl benzene,phenylmethyl sulphonyl benzene,benzenesulfonyl methyl benzene
IUPAC Name benzenesulfonylmethylbenzene
InChI Key FABCMLOTUSCWOR-UHFFFAOYSA-N
Molecular Formula C13H12O2S
7,105

Methyl Caffeate 98.0+%, TCI America™
SDP

CAS: 3843-74-1 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00210468 InChI Key: OCNYGKNIVPVPPX-HWKANZROSA-N Synonym: methyl caffeate,methyl 3-3,4-dihydroxyphenyl acrylate,caffeic acid methyl ester,e-methyl 3-3,4-dihydroxyphenyl acrylate,methylcaffeate,methyl 3,4-dihydroxycinnamate,caffeic acid, methyl ester,unii-n79173b9hf,methyl 2e-3-3,4-dihydroxyphenyl prop-2-enoate,chembl17001 PubChem CID: 689075 ChEBI: CHEBI:6856 IUPAC Name: methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate SMILES: COC(=O)C=CC1=CC(=C(C=C1)O)O

PubChem CID 689075
CAS 3843-74-1
Molecular Weight (g/mol) 194.186
ChEBI CHEBI:6856
MDL Number MFCD00210468
SMILES COC(=O)C=CC1=CC(=C(C=C1)O)O
Synonym methyl caffeate,methyl 3-3,4-dihydroxyphenyl acrylate,caffeic acid methyl ester,e-methyl 3-3,4-dihydroxyphenyl acrylate,methylcaffeate,methyl 3,4-dihydroxycinnamate,caffeic acid, methyl ester,unii-n79173b9hf,methyl 2e-3-3,4-dihydroxyphenyl prop-2-enoate,chembl17001
IUPAC Name methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI Key OCNYGKNIVPVPPX-HWKANZROSA-N
Molecular Formula C10H10O4
7,106

(1R,2S)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenyl-1-propanol 98.0+%, TCI America™
SDP

CAS: 187324-63-6 Molecular Formula: C25H29NO3S Molecular Weight (g/mol): 423.571 MDL Number: MFCD02093446 InChI Key: ZPERKXJNXPLVAC-URXFXBBRSA-N Synonym: (1R,2S)-N-Benzyl-N-(mesitylenesulfonyl)norephedrine, (1R,2S)-2-[N-Benzyl-N-(2,4,6-trimethylbenzenesulfonyl)amino]-1-phenyl-1-propanol PubChem CID: 11166154 IUPAC Name: N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2,4,6-trimethylbenzenesulfonamide SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=CC=C2)C(C)C(C3=CC=CC=C3)O)C

PubChem CID 11166154
CAS 187324-63-6
Molecular Weight (g/mol) 423.571
MDL Number MFCD02093446
SMILES CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=CC=C2)C(C)C(C3=CC=CC=C3)O)C
Synonym (1R,2S)-N-Benzyl-N-(mesitylenesulfonyl)norephedrine, (1R,2S)-2-[N-Benzyl-N-(2,4,6-trimethylbenzenesulfonyl)amino]-1-phenyl-1-propanol
IUPAC Name N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
InChI Key ZPERKXJNXPLVAC-URXFXBBRSA-N
Molecular Formula C25H29NO3S
7,107

4,4'-Diamyloxybiphenyl 98.0+%, TCI America™
SDP

CAS: 21470-41-7 Molecular Formula: C22H30O2 Molecular Weight (g/mol): 326.48 MDL Number: MFCD00059432 InChI Key: XTKHESQIKTWMCD-UHFFFAOYSA-N PubChem CID: 629825 IUPAC Name: 4,4'-bis(pentyloxy)-1,1'-biphenyl SMILES: CCCCCOC1=CC=C(C=C1)C1=CC=C(OCCCCC)C=C1

PubChem CID 629825
CAS 21470-41-7
Molecular Weight (g/mol) 326.48
MDL Number MFCD00059432
SMILES CCCCCOC1=CC=C(C=C1)C1=CC=C(OCCCCC)C=C1
IUPAC Name 4,4'-bis(pentyloxy)-1,1'-biphenyl
InChI Key XTKHESQIKTWMCD-UHFFFAOYSA-N
Molecular Formula C22H30O2
7,108

4,4'-Methylenebis(2-chloroaniline) 90.0+%, TCI America™
SDP

CAS: 101-14-4 Molecular Formula: C13H12Cl2N2 Molecular Weight (g/mol): 267.15 MDL Number: MFCD00047829 InChI Key: IBOFVQJTBBUKMU-UHFFFAOYSA-N Synonym: 4,4'-methylenebis 2-chloroaniline,moca,quodorole,cyanaset,bisamine,dacpm,mboca,curalin m,diamet kh,methylenebis chloroaniline PubChem CID: 7543 ChEBI: CHEBI:28124 IUPAC Name: 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline SMILES: NC1=CC=C(CC2=CC=C(N)C(Cl)=C2)C=C1Cl

PubChem CID 7543
CAS 101-14-4
Molecular Weight (g/mol) 267.15
ChEBI CHEBI:28124
MDL Number MFCD00047829
SMILES NC1=CC=C(CC2=CC=C(N)C(Cl)=C2)C=C1Cl
Synonym 4,4'-methylenebis 2-chloroaniline,moca,quodorole,cyanaset,bisamine,dacpm,mboca,curalin m,diamet kh,methylenebis chloroaniline
IUPAC Name 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline
InChI Key IBOFVQJTBBUKMU-UHFFFAOYSA-N
Molecular Formula C13H12Cl2N2
7,109

2,4-Dibromo-1-naphthol 98.0+%, TCI America™
SDP

CAS: 2050-49-9 Molecular Formula: C10H6Br2O Molecular Weight (g/mol): 301.965 MDL Number: MFCD00059130 InChI Key: PSGUDVJPEWTBRM-UHFFFAOYSA-N PubChem CID: 94878 IUPAC Name: 2,4-dibromonaphthalen-1-ol SMILES: C1=CC=C2C(=C1)C(=CC(=C2O)Br)Br

PubChem CID 94878
CAS 2050-49-9
Molecular Weight (g/mol) 301.965
MDL Number MFCD00059130
SMILES C1=CC=C2C(=C1)C(=CC(=C2O)Br)Br
IUPAC Name 2,4-dibromonaphthalen-1-ol
InChI Key PSGUDVJPEWTBRM-UHFFFAOYSA-N
Molecular Formula C10H6Br2O
7,110

(1S,2R)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenyl-1-propanol 98.0+%, TCI America™
SDP

CAS: 187324-64-7 Molecular Formula: C25H29NO3S Molecular Weight (g/mol): 423.571 MDL Number: MFCD02093447 InChI Key: ZPERKXJNXPLVAC-ZJSXRUAMSA-N Synonym: (1S,2R)-N-Benzyl-N-(mesitylenesulfonyl)norephedrine, (1S,2R)-2-[N-Benzyl-N-(2,4,6-trimethylbenzenesulfonyl)amino]-1-phenyl-1-propanol PubChem CID: 44630156 IUPAC Name: N-benzyl-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,4,6-trimethylbenzenesulfonamide SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=CC=C2)C(C)C(C3=CC=CC=C3)O)C

PubChem CID 44630156
CAS 187324-64-7
Molecular Weight (g/mol) 423.571
MDL Number MFCD02093447
SMILES CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=CC=C2)C(C)C(C3=CC=CC=C3)O)C
Synonym (1S,2R)-N-Benzyl-N-(mesitylenesulfonyl)norephedrine, (1S,2R)-2-[N-Benzyl-N-(2,4,6-trimethylbenzenesulfonyl)amino]-1-phenyl-1-propanol
IUPAC Name N-benzyl-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
InChI Key ZPERKXJNXPLVAC-ZJSXRUAMSA-N
Molecular Formula C25H29NO3S