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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 (67,607)
Phenols (13,420)
Naphthalenes (5,064)
Fluorenes (1,235)
Unsubstituted Phenols (1,165)
Thiophenols (617)
Phenol esters (557)
Anthracenes (412)
Phenanthrenes and derivatives (327)
Tetralins (327)
Indanes (313)
Triphenyl compounds (277)
Pyrenes (229)
Dibenzocycloheptenes (62)
Naphthacenes (36)
Ellagic acids and derivatives (33)
Pentacenes (19)
Pentacenequinones (16)
Acenaphthylenes (15)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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9,421 – 9,435 of 78,418 results
9,421

4-Hydroxy-3-nitrobiphenyl, TCI America™

CAS: 885-82-5 Molecular Formula: C12H9NO3 Molecular Weight (g/mol): 215.208 MDL Number: MFCD00014694 InChI Key: JDDNJJBXFOLPKX-UHFFFAOYSA-N Synonym: 4-hydroxy-3-nitrobiphenyl,3-nitrobiphenyl-4-ol,3-nitro-1,1'-biphenyl-4-ol,3-nitro 1,1'-biphenyl-4-ol,ccris 5769,2-nitro-4-phenyl-phenol,4-phenyl-2-nitrophenol,acmc-209qum,nitrophenylphenol,3-nitro-4-hydroxybiphenyl PubChem CID: 13447 IUPAC Name: 2-nitro-4-phenylphenol SMILES: C1=CC=C(C=C1)C2=CC(=C(C=C2)O)[N+](=O)[O-]

PubChem CID 13447
CAS 885-82-5
Molecular Weight (g/mol) 215.208
MDL Number MFCD00014694
SMILES C1=CC=C(C=C1)C2=CC(=C(C=C2)O)[N+](=O)[O-]
Synonym 4-hydroxy-3-nitrobiphenyl,3-nitrobiphenyl-4-ol,3-nitro-1,1'-biphenyl-4-ol,3-nitro 1,1'-biphenyl-4-ol,ccris 5769,2-nitro-4-phenyl-phenol,4-phenyl-2-nitrophenol,acmc-209qum,nitrophenylphenol,3-nitro-4-hydroxybiphenyl
IUPAC Name 2-nitro-4-phenylphenol
InChI Key JDDNJJBXFOLPKX-UHFFFAOYSA-N
Molecular Formula C12H9NO3
9,422

4-Hydroxyphenylarsonic Acid 98.0+%, TCI America™

CAS: 98-14-6 Molecular Formula: C6H7AsO4 Molecular Weight (g/mol): 218.04 MDL Number: MFCD00045707 InChI Key: RSRFURJMCNJVOW-UHFFFAOYSA-N Synonym: 4-Hydroxybenzenearsonic Acid PubChem CID: 7373 IUPAC Name: (4-hydroxyphenyl)arsonic acid SMILES: C1=CC(=CC=C1O)[As](=O)(O)O

PubChem CID 7373
CAS 98-14-6
Molecular Weight (g/mol) 218.04
MDL Number MFCD00045707
SMILES C1=CC(=CC=C1O)[As](=O)(O)O
Synonym 4-Hydroxybenzenearsonic Acid
IUPAC Name (4-hydroxyphenyl)arsonic acid
InChI Key RSRFURJMCNJVOW-UHFFFAOYSA-N
Molecular Formula C6H7AsO4
9,423

Ethyl 4-Hydroxyphenylacetate 98.0+%, TCI America™

CAS: 17138-28-2 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00016491 InChI Key: HYUPPKVFCGIMDB-UHFFFAOYSA-N Synonym: ethyl 4-hydroxyphenylacetate,ethyl 2-4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid ethyl ester,benzeneacetic acid, 4-hydroxy-, ethyl ester,ethyl 4-hydroxyphenyl acetate,p-hydroxyphenyl acetic acid ethyl ester,ethyl p-hydroxyphenyl acetate,ethyl-4-hydroxyphenylacetate,pubchem12861,acetic acid, p-hydroxyphenyl-, ethyl ester PubChem CID: 28310 IUPAC Name: ethyl 2-(4-hydroxyphenyl)acetate SMILES: CCOC(=O)CC1=CC=C(O)C=C1

PubChem CID 28310
CAS 17138-28-2
Molecular Weight (g/mol) 180.20
MDL Number MFCD00016491
SMILES CCOC(=O)CC1=CC=C(O)C=C1
Synonym ethyl 4-hydroxyphenylacetate,ethyl 2-4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid ethyl ester,benzeneacetic acid, 4-hydroxy-, ethyl ester,ethyl 4-hydroxyphenyl acetate,p-hydroxyphenyl acetic acid ethyl ester,ethyl p-hydroxyphenyl acetate,ethyl-4-hydroxyphenylacetate,pubchem12861,acetic acid, p-hydroxyphenyl-, ethyl ester
IUPAC Name ethyl 2-(4-hydroxyphenyl)acetate
InChI Key HYUPPKVFCGIMDB-UHFFFAOYSA-N
Molecular Formula C10H12O3
9,424

6-Hydroxybenzothiazole 96.0+%, TCI America™

CAS: 13599-84-3 Molecular Formula: C7H5NOS Molecular Weight (g/mol): 151.18 MDL Number: MFCD00057883 InChI Key: ORIIXCOYEOIFSN-UHFFFAOYSA-N Synonym: 6-Benzothiazolol PubChem CID: 151811 IUPAC Name: 1,3-benzothiazol-6-ol SMILES: OC1=CC=C2N=CSC2=C1

PubChem CID 151811
CAS 13599-84-3
Molecular Weight (g/mol) 151.18
MDL Number MFCD00057883
SMILES OC1=CC=C2N=CSC2=C1
Synonym 6-Benzothiazolol
IUPAC Name 1,3-benzothiazol-6-ol
InChI Key ORIIXCOYEOIFSN-UHFFFAOYSA-N
Molecular Formula C7H5NOS
9,425

4-Heptylphenol 98.0+%, TCI America™

CAS: 1987-50-4 Molecular Formula: C13H20O Molecular Weight (g/mol): 192.302 MDL Number: MFCD00041751 InChI Key: KNDDEFBFJLKPFE-UHFFFAOYSA-N Synonym: 4-n-heptylphenol,phenol, 4-heptyl,p-heptylphenol,heptanyl-p-phenol,p-hydroxyheptylbenzene,phenol, heptyl derivs.,p-n-heptylphenol,unii-i743z35dvb,phenol, heptenylated,p-heptyl phenol PubChem CID: 16143 ChEBI: CHEBI:34438 IUPAC Name: 4-heptylphenol SMILES: CCCCCCCC1=CC=C(C=C1)O

PubChem CID 16143
CAS 1987-50-4
Molecular Weight (g/mol) 192.302
ChEBI CHEBI:34438
MDL Number MFCD00041751
SMILES CCCCCCCC1=CC=C(C=C1)O
Synonym 4-n-heptylphenol,phenol, 4-heptyl,p-heptylphenol,heptanyl-p-phenol,p-hydroxyheptylbenzene,phenol, heptyl derivs.,p-n-heptylphenol,unii-i743z35dvb,phenol, heptenylated,p-heptyl phenol
IUPAC Name 4-heptylphenol
InChI Key KNDDEFBFJLKPFE-UHFFFAOYSA-N
Molecular Formula C13H20O
9,426

1-(4-Hydroxyphenyl)-5-mercapto-1H-tetrazole 90.0+%, TCI America™

CAS: 52431-78-4 Molecular Formula: C7H6N4OS Molecular Weight (g/mol): 194.212 MDL Number: MFCD00132898 InChI Key: MOXZSKYLLSPATM-UHFFFAOYSA-N Synonym: 1-4-hydroxyphenyl-5-mercaptotetrazole,1-4-hydroxyphenyl-1h-tetrazole-5-thiol,1-4-hydroxyphenyl-2h-tetrazole-5-thione,1-4-hydroxyphenyl-5-mercapto-1h-tetrazole,5h-tetrazole-5-thione, 1,2-dihydro-1-4-hydroxyphenyl,1-4-hydroxyphenyl-1h-tetrazole-5 4h-thione,4-5-sulfanyl-1h-1,2,3,4-tetrazol-1-yl phenol,1,2-dihydro-1-p-hydroxyphenyl-5h-tetrazole-5-thione,4-5-mercapto-1h-tetrazol-1-yl phenol,4-5-sulfanyl-1h-tetrazol-1-yl phenol PubChem CID: 3034725 IUPAC Name: 1-(4-hydroxyphenyl)-2H-tetrazole-5-thione SMILES: C1=CC(=CC=C1N2C(=S)N=NN2)O

PubChem CID 3034725
CAS 52431-78-4
Molecular Weight (g/mol) 194.212
MDL Number MFCD00132898
SMILES C1=CC(=CC=C1N2C(=S)N=NN2)O
Synonym 1-4-hydroxyphenyl-5-mercaptotetrazole,1-4-hydroxyphenyl-1h-tetrazole-5-thiol,1-4-hydroxyphenyl-2h-tetrazole-5-thione,1-4-hydroxyphenyl-5-mercapto-1h-tetrazole,5h-tetrazole-5-thione, 1,2-dihydro-1-4-hydroxyphenyl,1-4-hydroxyphenyl-1h-tetrazole-5 4h-thione,4-5-sulfanyl-1h-1,2,3,4-tetrazol-1-yl phenol,1,2-dihydro-1-p-hydroxyphenyl-5h-tetrazole-5-thione,4-5-mercapto-1h-tetrazol-1-yl phenol,4-5-sulfanyl-1h-tetrazol-1-yl phenol
IUPAC Name 1-(4-hydroxyphenyl)-2H-tetrazole-5-thione
InChI Key MOXZSKYLLSPATM-UHFFFAOYSA-N
Molecular Formula C7H6N4OS
9,427

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol 98.0+%, TCI America™

CAS: 269409-70-3 Molecular Formula: C12H17BO3 Molecular Weight (g/mol): 220.075 MDL Number: MFCD02093756 InChI Key: BICZJRAGTCRORZ-UHFFFAOYSA-N Synonym: 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenol,4-hydroxyphenylboronic acid pinacol ester,4-hydroxyphenylboronic acid, pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl phenol,4-hydroxyphenylboronic acid pinacolate,2-4-hydroxyphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-hydroxyphenylboronicacidpinacolester,4-hydroxybenzeneboronic acid pinacol ester,phenol, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-hydroxyphenylboronic acid pinacol cyclic ester PubChem CID: 2734624 IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)O

PubChem CID 2734624
CAS 269409-70-3
Molecular Weight (g/mol) 220.075
MDL Number MFCD02093756
SMILES B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)O
Synonym 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenol,4-hydroxyphenylboronic acid pinacol ester,4-hydroxyphenylboronic acid, pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl phenol,4-hydroxyphenylboronic acid pinacolate,2-4-hydroxyphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-hydroxyphenylboronicacidpinacolester,4-hydroxybenzeneboronic acid pinacol ester,phenol, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-hydroxyphenylboronic acid pinacol cyclic ester
IUPAC Name 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
InChI Key BICZJRAGTCRORZ-UHFFFAOYSA-N
Molecular Formula C12H17BO3
9,428

Spirobicromane 99.0+%, TCI America™

CAS: 3127-14-8 Molecular Formula: C21H24O4 Molecular Weight (g/mol): 340.419 MDL Number: MFCD00145320 InChI Key: BWQOXWHQZXVXSD-UHFFFAOYSA-N Synonym: 7,7′C-Dihydroxy-4,4,4′C,4′C-tetramethyl-2,2′C-spirobichroman, 4,4,4′C,4′C-Tetramethyl-2,2′C-spirobi[chroman]-7,7′C-diol PubChem CID: 592148 IUPAC Name: 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol SMILES: CC1(CC2(CC(C3=C(O2)C=C(C=C3)O)(C)C)OC4=C1C=CC(=C4)O)C

PubChem CID 592148
CAS 3127-14-8
Molecular Weight (g/mol) 340.419
MDL Number MFCD00145320
SMILES CC1(CC2(CC(C3=C(O2)C=C(C=C3)O)(C)C)OC4=C1C=CC(=C4)O)C
Synonym 7,7′C-Dihydroxy-4,4,4′C,4′C-tetramethyl-2,2′C-spirobichroman, 4,4,4′C,4′C-Tetramethyl-2,2′C-spirobi[chroman]-7,7′C-diol
IUPAC Name 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol
InChI Key BWQOXWHQZXVXSD-UHFFFAOYSA-N
Molecular Formula C21H24O4
9,429

5-Bromo-2,4-dimethoxybenzoic Acid 98.0+%, TCI America™

CAS: 32246-20-1 Molecular Formula: C9H9BrO4 Molecular Weight (g/mol): 261.071 MDL Number: MFCD05865172 InChI Key: WOPJFSQYDOHZMK-UHFFFAOYSA-N Synonym: 5-bromo-2 4-dimethoxybenzoic acid,acmc-20am5v,5-bromo-2,4-dimethoxybenzoicacid,2,4-dimethoxy-5-bromobenzoic acid,2,4-dimethoxy-5-bromo-benzoic acid,5-bromo-2,4-dimethoxy-benzoic acid,5-bromanyl-2,4-dimethoxy-benzoic acid,benzoic acid, 5-bromo-2,4-dimethoxy,5-bromo-2,4-dimethoxybenzoic acid PubChem CID: 13505097 IUPAC Name: 5-bromo-2,4-dimethoxybenzoic acid SMILES: COC1=CC(=C(C=C1C(=O)O)Br)OC

PubChem CID 13505097
CAS 32246-20-1
Molecular Weight (g/mol) 261.071
MDL Number MFCD05865172
SMILES COC1=CC(=C(C=C1C(=O)O)Br)OC
Synonym 5-bromo-2 4-dimethoxybenzoic acid,acmc-20am5v,5-bromo-2,4-dimethoxybenzoicacid,2,4-dimethoxy-5-bromobenzoic acid,2,4-dimethoxy-5-bromo-benzoic acid,5-bromo-2,4-dimethoxy-benzoic acid,5-bromanyl-2,4-dimethoxy-benzoic acid,benzoic acid, 5-bromo-2,4-dimethoxy,5-bromo-2,4-dimethoxybenzoic acid
IUPAC Name 5-bromo-2,4-dimethoxybenzoic acid
InChI Key WOPJFSQYDOHZMK-UHFFFAOYSA-N
Molecular Formula C9H9BrO4
9,430

2,4,5-Trimethoxybenzoic Acid 98.0+%, TCI America™

CAS: 490-64-2 Molecular Formula: C10H11O5 Molecular Weight (g/mol): 211.19 MDL Number: MFCD00002435 InChI Key: KVZUCOGWKYOPID-UHFFFAOYSA-M Synonym: asaronic acid,benzoic acid, 2,4,5-trimethoxy,asarylic acid,calamonic acid,acmc-209ket,2,4,5-trimethoxybenzoicacid,ksc489o7d,2,4,5-trimethoxy-benzoic acid,2,4,5-trimethoxybenzoic acid,alpha-hydroxyphenylacetic acid; amygdalic acid; alpha-hydroxyphenylacetic acid; alpha-hydroxy-benzeneacetic acid PubChem CID: 10276 IUPAC Name: 2,4,5-trimethoxybenzoate SMILES: COC1=CC(OC)=C(C=C1OC)C([O-])=O

PubChem CID 10276
CAS 490-64-2
Molecular Weight (g/mol) 211.19
MDL Number MFCD00002435
SMILES COC1=CC(OC)=C(C=C1OC)C([O-])=O
Synonym asaronic acid,benzoic acid, 2,4,5-trimethoxy,asarylic acid,calamonic acid,acmc-209ket,2,4,5-trimethoxybenzoicacid,ksc489o7d,2,4,5-trimethoxy-benzoic acid,2,4,5-trimethoxybenzoic acid,alpha-hydroxyphenylacetic acid; amygdalic acid; alpha-hydroxyphenylacetic acid; alpha-hydroxy-benzeneacetic acid
IUPAC Name 2,4,5-trimethoxybenzoate
InChI Key KVZUCOGWKYOPID-UHFFFAOYSA-M
Molecular Formula C10H11O5
9,431

Methyl 2-Amino-3-methoxybenzoate 98.0+%, TCI America™

CAS: 5121-34-6 Molecular Formula: C9H11NO3 Molecular Weight (g/mol): 181.191 MDL Number: MFCD11113109 InChI Key: YJEZEMGLLFLMDF-UHFFFAOYSA-N Synonym: 2-Amino-3-methoxybenzoic Acid Methyl Ester, Methyl 2-Amino-m-anisate, 2-Amino-m-anisic Acid Methyl Ester PubChem CID: 602320 IUPAC Name: methyl 2-amino-3-methoxybenzoate SMILES: COC1=CC=CC(=C1N)C(=O)OC

PubChem CID 602320
CAS 5121-34-6
Molecular Weight (g/mol) 181.191
MDL Number MFCD11113109
SMILES COC1=CC=CC(=C1N)C(=O)OC
Synonym 2-Amino-3-methoxybenzoic Acid Methyl Ester, Methyl 2-Amino-m-anisate, 2-Amino-m-anisic Acid Methyl Ester
IUPAC Name methyl 2-amino-3-methoxybenzoate
InChI Key YJEZEMGLLFLMDF-UHFFFAOYSA-N
Molecular Formula C9H11NO3
9,432

3-Chloro-4-methoxybenzoic Acid 97.0+%, TCI America™

CAS: 37908-96-6 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.591 MDL Number: MFCD00016512 InChI Key: IBCQUQXCTOPJOD-UHFFFAOYSA-N Synonym: 3-chloro-p-anisic acid,3-chloro-4-methoxybenzolic acid,benzoic acid, 3-chloro-4-methoxy,pubchem19130,acmc-209iw4,ksc494s0j,3-chloro-4-methoxybenzoicacid,rarechem al bo 2400,3-chloro-4-anisic acid,3-chloro-4-methoxy benzoic acid PubChem CID: 169982 IUPAC Name: 3-chloro-4-methoxybenzoic acid SMILES: COC1=C(C=C(C=C1)C(=O)O)Cl

PubChem CID 169982
CAS 37908-96-6
Molecular Weight (g/mol) 186.591
MDL Number MFCD00016512
SMILES COC1=C(C=C(C=C1)C(=O)O)Cl
Synonym 3-chloro-p-anisic acid,3-chloro-4-methoxybenzolic acid,benzoic acid, 3-chloro-4-methoxy,pubchem19130,acmc-209iw4,ksc494s0j,3-chloro-4-methoxybenzoicacid,rarechem al bo 2400,3-chloro-4-anisic acid,3-chloro-4-methoxy benzoic acid
IUPAC Name 3-chloro-4-methoxybenzoic acid
InChI Key IBCQUQXCTOPJOD-UHFFFAOYSA-N
Molecular Formula C8H7ClO3
9,433

Phenyl Trifluoromethanesulfonate 98.0+%, TCI America™

CAS: 17763-67-6 Molecular Formula: C7H5F3O3S Molecular Weight (g/mol): 226.169 MDL Number: MFCD00192399 InChI Key: GRJHONXDTNBDTC-UHFFFAOYSA-N Synonym: Trifluoromethanesulfonic Acid Phenyl Ester, Phenyl Triflate PubChem CID: 548641 IUPAC Name: phenyl trifluoromethanesulfonate SMILES: C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F

PubChem CID 548641
CAS 17763-67-6
Molecular Weight (g/mol) 226.169
MDL Number MFCD00192399
SMILES C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F
Synonym Trifluoromethanesulfonic Acid Phenyl Ester, Phenyl Triflate
IUPAC Name phenyl trifluoromethanesulfonate
InChI Key GRJHONXDTNBDTC-UHFFFAOYSA-N
Molecular Formula C7H5F3O3S
9,434

4-(4-Phenylbutoxy)benzoic Acid 98.0+%, TCI America™

CAS: 30131-16-9 Molecular Formula: C17H18O3 Molecular Weight (g/mol): 270.33 MDL Number: MFCD07787608 InChI Key: XWCWFMQMZZPALR-UHFFFAOYSA-N PubChem CID: 11043825 IUPAC Name: 4-(4-phenylbutoxy)benzoic acid SMILES: OC(=O)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1

PubChem CID 11043825
CAS 30131-16-9
Molecular Weight (g/mol) 270.33
MDL Number MFCD07787608
SMILES OC(=O)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1
IUPAC Name 4-(4-phenylbutoxy)benzoic acid
InChI Key XWCWFMQMZZPALR-UHFFFAOYSA-N
Molecular Formula C17H18O3
9,435

2-Methyl-6-(trimethylsilyl)phenyl Trifluoromethanesulfonate 96.0+%, TCI America™

CAS: 556812-44-3 Molecular Formula: C11H15F3O3SSi Molecular Weight (g/mol): 312.38 MDL Number: MFCD10566915 InChI Key: ZCWWZFXNICWDIB-UHFFFAOYSA-N Synonym: 2-Methyl-6-(trimethylsilyl)phenyl Triflate, Trifluoromethanesulfonic Acid 2-Methyl-6-(trimethylsilyl)phenyl Ester, 6-(Trimethylsilyl)-o-tolyl Trifluoromethanesulfonate PubChem CID: 12182646 IUPAC Name: 2-methyl-6-(trimethylsilyl)phenyl trifluoromethanesulfonate SMILES: CC1=C(OS(=O)(=O)C(F)(F)F)C(=CC=C1)[Si](C)(C)C

PubChem CID 12182646
CAS 556812-44-3
Molecular Weight (g/mol) 312.38
MDL Number MFCD10566915
SMILES CC1=C(OS(=O)(=O)C(F)(F)F)C(=CC=C1)[Si](C)(C)C
Synonym 2-Methyl-6-(trimethylsilyl)phenyl Triflate, Trifluoromethanesulfonic Acid 2-Methyl-6-(trimethylsilyl)phenyl Ester, 6-(Trimethylsilyl)-o-tolyl Trifluoromethanesulfonate
IUPAC Name 2-methyl-6-(trimethylsilyl)phenyl trifluoromethanesulfonate
InChI Key ZCWWZFXNICWDIB-UHFFFAOYSA-N
Molecular Formula C11H15F3O3SSi