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.

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7,321 – 7,335 of 159,115 results

7,321

2-Bromo-1-indanol 98.0+%, TCI America™

CAS: 5400-80-6 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.07 MDL Number: MFCD00003798 InChI Key: RTESDSDXFLYAKZ-UHFFFAOYNA-N Synonym: 2-bromo-1-indanol,2-bromoindan-1-ol,1-hydroxy-2-bromoindan,2-bromo-1-hydroxyindane,2-bromo-1-hydroxyhydrindene,1h-inden-1-ol, 2-bromo-2,3-dihydro,trans-2-bromo-1-indanol,bromoindanol,acmc-20ajgx,pubchem3783 PubChem CID: 95444 IUPAC Name: 2-bromo-2,3-dihydro-1H-inden-1-ol SMILES: OC1C(Br)CC2=CC=CC=C12

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Specifications

PubChem CID	95444
CAS	5400-80-6
Molecular Weight (g/mol)	213.07
MDL Number	MFCD00003798
SMILES	OC1C(Br)CC2=CC=CC=C12
Synonym	2-bromo-1-indanol,2-bromoindan-1-ol,1-hydroxy-2-bromoindan,2-bromo-1-hydroxyindane,2-bromo-1-hydroxyhydrindene,1h-inden-1-ol, 2-bromo-2,3-dihydro,trans-2-bromo-1-indanol,bromoindanol,acmc-20ajgx,pubchem3783
IUPAC Name	2-bromo-2,3-dihydro-1H-inden-1-ol
InChI Key	RTESDSDXFLYAKZ-UHFFFAOYNA-N
Molecular Formula	C9H9BrO

7,322

2,2-Bis(4-aminophenyl)hexafluoropropane 98.0+%, TCI America™

CAS: 1095-78-9 Molecular Formula: C15H12F6N2 Molecular Weight (g/mol): 334.265 MDL Number: MFCD00039146 InChI Key: BEKFRNOZJSYWKZ-UHFFFAOYSA-N Synonym: 2,2-bis 4-aminophenyl hexafluoropropane,4,4'-perfluoropropane-2,2-diyl dianiline,4,4'-hexafluoroisopropylidene dianiline,4-2-4-aminophenyl-1,1,1,3,3,3-hexafluoropropan-2-yl aniline,benzenamine, 4,4'-2,2,2-trifluoro-1-trifluoromethyl ethylidene bis,acmc-1bon7,bekfrnozjsywkz-uhfffaoysa,2,2-bis-4-aminophenyl hexafluoropropane,4,4'-1,1,1,3,3,3-hexafluoropropane-2,2-diyl dianiline PubChem CID: 622236 IUPAC Name: 4-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)N)(C(F)(F)F)C(F)(F)F)N

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Specifications

PubChem CID	622236
CAS	1095-78-9
Molecular Weight (g/mol)	334.265
MDL Number	MFCD00039146
SMILES	C1=CC(=CC=C1C(C2=CC=C(C=C2)N)(C(F)(F)F)C(F)(F)F)N
Synonym	2,2-bis 4-aminophenyl hexafluoropropane,4,4'-perfluoropropane-2,2-diyl dianiline,4,4'-hexafluoroisopropylidene dianiline,4-2-4-aminophenyl-1,1,1,3,3,3-hexafluoropropan-2-yl aniline,benzenamine, 4,4'-2,2,2-trifluoro-1-trifluoromethyl ethylidene bis,acmc-1bon7,bekfrnozjsywkz-uhfffaoysa,2,2-bis-4-aminophenyl hexafluoropropane,4,4'-1,1,1,3,3,3-hexafluoropropane-2,2-diyl dianiline
IUPAC Name	4-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline
InChI Key	BEKFRNOZJSYWKZ-UHFFFAOYSA-N
Molecular Formula	C15H12F6N2

7,323

(3R)-(-)-1-Benzyl-3-(ethylamino)pyrrolidine 95.0+%, TCI America™

CAS: 376591-05-8 Molecular Formula: C13H20N2 Molecular Weight (g/mol): 204.317 MDL Number: MFCD00191306 InChI Key: ZSIUSRJKSLXIJH-CYBMUJFWSA-N PubChem CID: 12362913 IUPAC Name: (3R)-1-benzyl-N-ethylpyrrolidin-3-amine SMILES: CCNC1CCN(C1)CC2=CC=CC=C2

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Specifications

PubChem CID	12362913
CAS	376591-05-8
Molecular Weight (g/mol)	204.317
MDL Number	MFCD00191306
SMILES	CCNC1CCN(C1)CC2=CC=CC=C2
IUPAC Name	(3R)-1-benzyl-N-ethylpyrrolidin-3-amine
InChI Key	ZSIUSRJKSLXIJH-CYBMUJFWSA-N
Molecular Formula	C13H20N2

7,324

4-Benzyloxybenzyl Alcohol 95.0+%, TCI America™

CAS: 836-43-1 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.26 MDL Number: MFCD00004654 InChI Key: OEBIVOHKFYSBPE-UHFFFAOYSA-N Synonym: 4-benzyloxybenzyl alcohol,4-benzyloxy phenyl methanol,p-benzyloxybenzyl alcohol,4-benzyloxybenzylalcohol,4-benzyloxy benzyl alcohol,benzenemethanol, 4-phenylmethoxy,p-alkoxybenzyl alcohol resin,4-phenylmethoxyphenyl methanol,argopore-wang PubChem CID: 70043 ChEBI: CHEBI:29486 IUPAC Name: [4-(benzyloxy)phenyl]methanol SMILES: OCC1=CC=C(OCC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	70043
CAS	836-43-1
Molecular Weight (g/mol)	214.26
ChEBI	CHEBI:29486
MDL Number	MFCD00004654
SMILES	OCC1=CC=C(OCC2=CC=CC=C2)C=C1
Synonym	4-benzyloxybenzyl alcohol,4-benzyloxy phenyl methanol,p-benzyloxybenzyl alcohol,4-benzyloxybenzylalcohol,4-benzyloxy benzyl alcohol,benzenemethanol, 4-phenylmethoxy,p-alkoxybenzyl alcohol resin,4-phenylmethoxyphenyl methanol,argopore-wang
IUPAC Name	[4-(benzyloxy)phenyl]methanol
InChI Key	OEBIVOHKFYSBPE-UHFFFAOYSA-N
Molecular Formula	C14H14O2

7,325

4-tert-Butylbenzyl Alcohol 97.0+%, TCI America™

CAS: 877-65-6 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.248 MDL Number: MFCD00004662 InChI Key: FVEINXLJOJPHLH-UHFFFAOYSA-N Synonym: 4-tert-butylbenzyl alcohol,4-tert-butyl phenyl methanol,4-tert-butylphenyl methanol,4-t-butylbenzyl alcohol,p-tert-butylbenzyl alcohol,4-t-butylbenzylalcohol,benzenemethanol, 4-1,1-dimethylethyl,4-1,1-dimethylethyl benzenemethanol,4-tert-butylbenzylalcohol,p-t-butylbenzyl alcohol PubChem CID: 13416 IUPAC Name: (4-tert-butylphenyl)methanol SMILES: CC(C)(C)C1=CC=C(C=C1)CO

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Specifications

PubChem CID	13416
CAS	877-65-6
Molecular Weight (g/mol)	164.248
MDL Number	MFCD00004662
SMILES	CC(C)(C)C1=CC=C(C=C1)CO
Synonym	4-tert-butylbenzyl alcohol,4-tert-butyl phenyl methanol,4-tert-butylphenyl methanol,4-t-butylbenzyl alcohol,p-tert-butylbenzyl alcohol,4-t-butylbenzylalcohol,benzenemethanol, 4-1,1-dimethylethyl,4-1,1-dimethylethyl benzenemethanol,4-tert-butylbenzylalcohol,p-t-butylbenzyl alcohol
IUPAC Name	(4-tert-butylphenyl)methanol
InChI Key	FVEINXLJOJPHLH-UHFFFAOYSA-N
Molecular Formula	C11H16O

7,326

3,5-Bis(4-nitrophenoxy)benzoic Acid 98.0+%, TCI America™

CAS: 173550-33-9 Molecular Formula: C19H12N2O8 Molecular Weight (g/mol): 396.31 MDL Number: MFCD02093450 InChI Key: JOSXKPZXMVHRKU-UHFFFAOYSA-N Synonym: 3,5-bis 4-nitrophenoxy benzoic acid,gamma-secretase modulator, cw,cw,acmc-1cuip,josxkpzxmvhrku-uhfffaoysa PubChem CID: 16760376 IUPAC Name: 3,5-bis(4-nitrophenoxy)benzoic acid SMILES: OC(=O)C1=CC(OC2=CC=C(C=C2)[N+]([O-])=O)=CC(OC2=CC=C(C=C2)[N+]([O-])=O)=C1

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PubChem CID	16760376
CAS	173550-33-9
Molecular Weight (g/mol)	396.31
MDL Number	MFCD02093450
SMILES	OC(=O)C1=CC(OC2=CC=C(C=C2)[N+]([O-])=O)=CC(OC2=CC=C(C=C2)[N+]([O-])=O)=C1
Synonym	3,5-bis 4-nitrophenoxy benzoic acid,gamma-secretase modulator, cw,cw,acmc-1cuip,josxkpzxmvhrku-uhfffaoysa
IUPAC Name	3,5-bis(4-nitrophenoxy)benzoic acid
InChI Key	JOSXKPZXMVHRKU-UHFFFAOYSA-N
Molecular Formula	C19H12N2O8

7,327

1,4-Dibenzyloxybenzene 98.0+%, TCI America™

CAS: 621-91-0 Molecular Formula: C20H18O2 Molecular Weight (g/mol): 290.36 MDL Number: MFCD00016875 InChI Key: DYULYMCXVSRUPB-UHFFFAOYSA-N Synonym: 1,4-dibenzyloxybenzene,1,4-bis benzyloxy benzene,hydroquinone dibenzyl ether,benzene, 1,4-bis phenylmethoxy,1,4-bis phenylmethoxy benzene,p-dibenzyloxybenzene,hydrochinon-dibenzylather,1,4-di benzyloxy benzene,acmc-209n0i,ksc493o6b PubChem CID: 69315 IUPAC Name: 1,4-bis(benzyloxy)benzene SMILES: C(OC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=CC=CC=C1

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Specifications

PubChem CID	69315
CAS	621-91-0
Molecular Weight (g/mol)	290.36
MDL Number	MFCD00016875
SMILES	C(OC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=CC=CC=C1
Synonym	1,4-dibenzyloxybenzene,1,4-bis benzyloxy benzene,hydroquinone dibenzyl ether,benzene, 1,4-bis phenylmethoxy,1,4-bis phenylmethoxy benzene,p-dibenzyloxybenzene,hydrochinon-dibenzylather,1,4-di benzyloxy benzene,acmc-209n0i,ksc493o6b
IUPAC Name	1,4-bis(benzyloxy)benzene
InChI Key	DYULYMCXVSRUPB-UHFFFAOYSA-N
Molecular Formula	C20H18O2

7,328

6-Hydroxy-1-tetralone 98.0+%, TCI America™

CAS: 3470-50-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00156670 InChI Key: FNSQPQKPPGALFA-UHFFFAOYSA-N Synonym: 6-hydroxy-1-tetralone,6-hydroxy-3,4-dihydronaphthalen-1 2h-one,6-hydroxy-3,4-dihydro-1 2h-naphthalenone,6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-one,6-hydroxytetralone,1-tetralon-6-ol,6-hydroxytetralin-1-one,2,5-dimethoxy naphthalene,1 2h-naphthalenone, 3,4-dihydro-6-hydroxy,6-hydroxy-2,3,4-trihydronaphthalen-1-one PubChem CID: 4679494 IUPAC Name: 6-hydroxy-3,4-dihydro-2H-naphthalen-1-one SMILES: C1CC2=C(C=CC(=C2)O)C(=O)C1

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Specifications

PubChem CID	4679494
CAS	3470-50-6
Molecular Weight (g/mol)	162.188
MDL Number	MFCD00156670
SMILES	C1CC2=C(C=CC(=C2)O)C(=O)C1
Synonym	6-hydroxy-1-tetralone,6-hydroxy-3,4-dihydronaphthalen-1 2h-one,6-hydroxy-3,4-dihydro-1 2h-naphthalenone,6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-one,6-hydroxytetralone,1-tetralon-6-ol,6-hydroxytetralin-1-one,2,5-dimethoxy naphthalene,1 2h-naphthalenone, 3,4-dihydro-6-hydroxy,6-hydroxy-2,3,4-trihydronaphthalen-1-one
IUPAC Name	6-hydroxy-3,4-dihydro-2H-naphthalen-1-one
InChI Key	FNSQPQKPPGALFA-UHFFFAOYSA-N
Molecular Formula	C10H10O2

7,329

4-Hydroxy-2,2,6,6-tetramethylpiperidine 1-Oxyl Benzoate Free Radical 97.0+%, TCI America™

CAS: 3225-26-1 Molecular Formula: C16H22NO3 Molecular Weight (g/mol): 276.356 MDL Number: MFCD00075563 InChI Key: MJEDTBDGYVATPI-UHFFFAOYSA-N Synonym: 4-Hydroxy-TEMPO Benzoate, 4-Benzoyloxy-2,2,6,6-tetramethylpiperidine 1-Oxyl, 4-Benzoyloxy-TEMPO PubChem CID: 2847363 IUPAC Name: (1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidin-4-yl) benzoate SMILES: CC1(CC(CC(N1[O])(C)C)OC(=O)C2=CC=CC=C2)C

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PubChem CID	2847363
CAS	3225-26-1
Molecular Weight (g/mol)	276.356
MDL Number	MFCD00075563
SMILES	CC1(CC(CC(N1[O])(C)C)OC(=O)C2=CC=CC=C2)C
Synonym	4-Hydroxy-TEMPO Benzoate, 4-Benzoyloxy-2,2,6,6-tetramethylpiperidine 1-Oxyl, 4-Benzoyloxy-TEMPO
IUPAC Name	(1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidin-4-yl) benzoate
InChI Key	MJEDTBDGYVATPI-UHFFFAOYSA-N
Molecular Formula	C16H22NO3

7,330

Diallyl Isophthalate 98.0+%, TCI America™

CAS: 1087-21-4 Molecular Formula: C14H14O4 Molecular Weight (g/mol): 246.262 MDL Number: MFCD00048174 InChI Key: OOORLLSLMPBSPT-UHFFFAOYSA-N Synonym: Isophthalic Acid Diallyl Ester PubChem CID: 66183 IUPAC Name: bis(prop-2-enyl) benzene-1,3-dicarboxylate SMILES: C=CCOC(=O)C1=CC(=CC=C1)C(=O)OCC=C

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Specifications

PubChem CID	66183
CAS	1087-21-4
Molecular Weight (g/mol)	246.262
MDL Number	MFCD00048174
SMILES	C=CCOC(=O)C1=CC(=CC=C1)C(=O)OCC=C
Synonym	Isophthalic Acid Diallyl Ester
IUPAC Name	bis(prop-2-enyl) benzene-1,3-dicarboxylate
InChI Key	OOORLLSLMPBSPT-UHFFFAOYSA-N
Molecular Formula	C14H14O4

7,331

1-Isopropoxy-4-nitrobenzene 98.0+%, TCI America™

CAS: 26455-31-2 Molecular Formula: C9H11NO3 Molecular Weight (g/mol): 181.191 MDL Number: MFCD01327671 InChI Key: GSOJVDNLACMALV-UHFFFAOYSA-N Synonym: Isopropyl 4-Nitrophenyl Ether PubChem CID: 12625304 IUPAC Name: 1-nitro-4-propan-2-yloxybenzene SMILES: CC(C)OC1=CC=C(C=C1)[N+](=O)[O-]

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Specifications

PubChem CID	12625304
CAS	26455-31-2
Molecular Weight (g/mol)	181.191
MDL Number	MFCD01327671
SMILES	CC(C)OC1=CC=C(C=C1)[N+](=O)[O-]
Synonym	Isopropyl 4-Nitrophenyl Ether
IUPAC Name	1-nitro-4-propan-2-yloxybenzene
InChI Key	GSOJVDNLACMALV-UHFFFAOYSA-N
Molecular Formula	C9H11NO3

7,332

Benz[a]anthracene 98.0+%, TCI America™

CAS: 56-55-3 Molecular Formula: C18H12 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00003599 InChI Key: DXBHBZVCASKNBY-UHFFFAOYSA-N Synonym: benz a anthracene,tetraphene,1,2-benzanthracene,benzanthrene,benzo a anthracene,benzanthracene,naphthanthracene,2,3-benzphenanthrene,benzoanthracene PubChem CID: 5954 ChEBI: CHEBI:51348 IUPAC Name: tetraphene SMILES: C1=CC=C2C=C3C(C=CC4=CC=CC=C34)=CC2=C1

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Specifications

PubChem CID	5954
CAS	56-55-3
Molecular Weight (g/mol)	228.29
ChEBI	CHEBI:51348
MDL Number	MFCD00003599
SMILES	C1=CC=C2C=C3C(C=CC4=CC=CC=C34)=CC2=C1
Synonym	benz a anthracene,tetraphene,1,2-benzanthracene,benzanthrene,benzo a anthracene,benzanthracene,naphthanthracene,2,3-benzphenanthrene,benzoanthracene
IUPAC Name	tetraphene
InChI Key	DXBHBZVCASKNBY-UHFFFAOYSA-N
Molecular Formula	C18H12

7,333

3,3'-Dichloro-N,N'-bis(4-methoxybenzylidene)benzidine 98.0+%, TCI America™

CAS: 3540-78-1 Molecular Formula: C28H22Cl2N2O2 Molecular Weight (g/mol): 489.396 MDL Number: MFCD00059294 InChI Key: JWTLKDNURNVSBN-UHFFFAOYSA-N Synonym: N,N′C-Bis(p-anisylidene)-3,3′C-dichlorobenzidine, p-Dianisal-3,3′C-dichlorobenzidine, 4,4′C-Bis(4-methoxybenzylideneamino)-3,3′C-dichlorobiphenyl PubChem CID: 635553 IUPAC Name: N-[2-chloro-4-[3-chloro-4-[(4-methoxyphenyl)methylideneamino]phenyl]phenyl]-1-(4-methoxyphenyl)methanimine SMILES: COC1=CC=C(C=C1)C=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=CC4=CC=C(C=C4)OC)Cl)Cl

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Specifications

PubChem CID	635553
CAS	3540-78-1
Molecular Weight (g/mol)	489.396
MDL Number	MFCD00059294
SMILES	COC1=CC=C(C=C1)C=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=CC4=CC=C(C=C4)OC)Cl)Cl
Synonym	N,N′C-Bis(p-anisylidene)-3,3′C-dichlorobenzidine, p-Dianisal-3,3′C-dichlorobenzidine, 4,4′C-Bis(4-methoxybenzylideneamino)-3,3′C-dichlorobiphenyl
IUPAC Name	N-[2-chloro-4-[3-chloro-4-[(4-methoxyphenyl)methylideneamino]phenyl]phenyl]-1-(4-methoxyphenyl)methanimine
InChI Key	JWTLKDNURNVSBN-UHFFFAOYSA-N
Molecular Formula	C28H22Cl2N2O2

7,334

Benzhydrylamine 97.0+%, TCI America™

CAS: 91-00-9 Molecular Formula: C13H13N Molecular Weight (g/mol): 183.254 MDL Number: MFCD00008059 InChI Key: MGHPNCMVUAKAIE-UHFFFAOYSA-N Synonym: aminodiphenylmethane,benzhydrylamine,1,1-diphenylmethylamine,diphenylmethyl amine,1,1-diphenylmethanamine,alpha-aminodiphenylmethane,methanamine, 1,1-diphenyl,alpha-phenylbenzylamine,benzhydrylamin,benzhydryl amine PubChem CID: 7036 IUPAC Name: diphenylmethanamine SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)N

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Specifications

PubChem CID	7036
CAS	91-00-9
Molecular Weight (g/mol)	183.254
MDL Number	MFCD00008059
SMILES	C1=CC=C(C=C1)C(C2=CC=CC=C2)N
Synonym	aminodiphenylmethane,benzhydrylamine,1,1-diphenylmethylamine,diphenylmethyl amine,1,1-diphenylmethanamine,alpha-aminodiphenylmethane,methanamine, 1,1-diphenyl,alpha-phenylbenzylamine,benzhydrylamin,benzhydryl amine
IUPAC Name	diphenylmethanamine
InChI Key	MGHPNCMVUAKAIE-UHFFFAOYSA-N
Molecular Formula	C13H13N

7,335

4-Nitrosalicylic Acid 98.0+%, TCI America™

CAS: 619-19-2 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00071505 InChI Key: UKWUOTZGXIZAJC-UHFFFAOYSA-N Synonym: 4-nitrosalicylic acid,2-hydroxy-4-nitrobenzoic acid,benzoic acid, 2-hydroxy-4-nitro,4-nitro-2-hydroxybenzoic acid,p-nitrosalicylic acid,salicylic acid, 4-nitro,4-nitro-salicylsaure,4-nitro-salicylsaure german,2-hydroxy-4-nitro-benzoic acid,p-nitrosalicylsaure PubChem CID: 69266 IUPAC Name: 2-hydroxy-4-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(C=C1O)[N+]([O-])=O

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Specifications

PubChem CID	69266
CAS	619-19-2
Molecular Weight (g/mol)	183.12
MDL Number	MFCD00071505
SMILES	OC(=O)C1=CC=C(C=C1O)[N+]([O-])=O
Synonym	4-nitrosalicylic acid,2-hydroxy-4-nitrobenzoic acid,benzoic acid, 2-hydroxy-4-nitro,4-nitro-2-hydroxybenzoic acid,p-nitrosalicylic acid,salicylic acid, 4-nitro,4-nitro-salicylsaure,4-nitro-salicylsaure german,2-hydroxy-4-nitro-benzoic acid,p-nitrosalicylsaure
IUPAC Name	2-hydroxy-4-nitrobenzoic acid
InChI Key	UKWUOTZGXIZAJC-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

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