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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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7,201 – 7,215 of 78,418 results
7,201

(-)-cis-2-Benzylaminocyclohexanemethanol 98.0+%, TCI America™

CAS: 71581-93-6 Molecular Formula: C14H22NO Molecular Weight (g/mol): 220.34 MDL Number: MFCD00151396,MFCD00151395 InChI Key: BRQFIORUNWWNBM-ZIAGYGMSSA-O Synonym: 1r,2s-n-benzyl-2-hydroxymethyl cyclohexan-1-aminium PubChem CID: 853690 IUPAC Name: (1R,2S)-N-benzyl-2-(hydroxymethyl)cyclohexan-1-aminium SMILES: OC[C@H]1CCCC[C@H]1[NH2+]CC1=CC=CC=C1

PubChem CID 853690
CAS 71581-93-6
Molecular Weight (g/mol) 220.34
MDL Number MFCD00151396,MFCD00151395
SMILES OC[C@H]1CCCC[C@H]1[NH2+]CC1=CC=CC=C1
Synonym 1r,2s-n-benzyl-2-hydroxymethyl cyclohexan-1-aminium
IUPAC Name (1R,2S)-N-benzyl-2-(hydroxymethyl)cyclohexan-1-aminium
InChI Key BRQFIORUNWWNBM-ZIAGYGMSSA-O
Molecular Formula C14H22NO
7,202

Glycylglycine Benzyl Ester p-Toluenesulfonate 98.0+%, TCI America™

CAS: 1738-82-5 Molecular Formula: C18H22N2O6S Molecular Weight (g/mol): 394.44 MDL Number: MFCD00050678 InChI Key: RWBJLSORGVEMHA-UHFFFAOYSA-N Synonym: Diglycine Benzyl Ester p-Toluenesulfonate, H-Gly-Gly-OBzl.Tos-OH PubChem CID: 337780 IUPAC Name: 4-methylbenzene-1-sulfonic acid; benzyl 2-(2-aminoacetamido)acetate SMILES: CC1=CC=C(C=C1)S(O)(=O)=O.NCC(=O)NCC(=O)OCC1=CC=CC=C1

PubChem CID 337780
CAS 1738-82-5
Molecular Weight (g/mol) 394.44
MDL Number MFCD00050678
SMILES CC1=CC=C(C=C1)S(O)(=O)=O.NCC(=O)NCC(=O)OCC1=CC=CC=C1
Synonym Diglycine Benzyl Ester p-Toluenesulfonate, H-Gly-Gly-OBzl.Tos-OH
IUPAC Name 4-methylbenzene-1-sulfonic acid; benzyl 2-(2-aminoacetamido)acetate
InChI Key RWBJLSORGVEMHA-UHFFFAOYSA-N
Molecular Formula C18H22N2O6S
7,203

o-Xylylene Dicyanide 98.0+%, TCI America™

CAS: 613-73-0 Molecular Formula: C10H8N2 Molecular Weight (g/mol): 156.19 MDL Number: MFCD00001905 InChI Key: FWPFXBANOKKNBR-UHFFFAOYSA-N Synonym: 1,2-phenylenediacetonitrile,o-phenylenediacetonitrile,1,2-bis cyanomethyl benzene,o-xylylene dicyanide,2-2-cyanomethyl phenyl acetonitrile,o-benzenediacetonitrile,2,2'-1,2-phenylene diacetonitrile,o-bis cyanomethyl benzene,1,2-benzenediacetonitrile,o-benzendiacetonitrile PubChem CID: 69180 IUPAC Name: 2-[2-(cyanomethyl)phenyl]acetonitrile SMILES: N#CCC1=CC=CC=C1CC#N

PubChem CID 69180
CAS 613-73-0
Molecular Weight (g/mol) 156.19
MDL Number MFCD00001905
SMILES N#CCC1=CC=CC=C1CC#N
Synonym 1,2-phenylenediacetonitrile,o-phenylenediacetonitrile,1,2-bis cyanomethyl benzene,o-xylylene dicyanide,2-2-cyanomethyl phenyl acetonitrile,o-benzenediacetonitrile,2,2'-1,2-phenylene diacetonitrile,o-bis cyanomethyl benzene,1,2-benzenediacetonitrile,o-benzendiacetonitrile
IUPAC Name 2-[2-(cyanomethyl)phenyl]acetonitrile
InChI Key FWPFXBANOKKNBR-UHFFFAOYSA-N
Molecular Formula C10H8N2
7,204

7-Methoxy-1-tetralone 98.0+%, TCI America™

CAS: 6836-19-7 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.215 MDL Number: MFCD00001696 InChI Key: GABLTKRIYDNDIN-UHFFFAOYSA-N Synonym: 7-methoxy-1-tetralone,7-methoxyl-1-tetralone,7-methoxy-1,2,3,4-tetrahydronaphthalen-1-one,7-methoxy-3,4-dihydronaphthalen-1 2h-one,1 2h-naphthalenone, 3,4-dihydro-7-methoxy,7-methoxytetralin-1-one,3,4-dihydro-7-methoxy-1 2h-naphthalenone,7-methoxy-2,3,4-trihydronaphthalen-1-one,7-methoxytetralone,7-methoxy-tetralone PubChem CID: 81276 IUPAC Name: 7-methoxy-3,4-dihydro-2H-naphthalen-1-one SMILES: COC1=CC2=C(CCCC2=O)C=C1

PubChem CID 81276
CAS 6836-19-7
Molecular Weight (g/mol) 176.215
MDL Number MFCD00001696
SMILES COC1=CC2=C(CCCC2=O)C=C1
Synonym 7-methoxy-1-tetralone,7-methoxyl-1-tetralone,7-methoxy-1,2,3,4-tetrahydronaphthalen-1-one,7-methoxy-3,4-dihydronaphthalen-1 2h-one,1 2h-naphthalenone, 3,4-dihydro-7-methoxy,7-methoxytetralin-1-one,3,4-dihydro-7-methoxy-1 2h-naphthalenone,7-methoxy-2,3,4-trihydronaphthalen-1-one,7-methoxytetralone,7-methoxy-tetralone
IUPAC Name 7-methoxy-3,4-dihydro-2H-naphthalen-1-one
InChI Key GABLTKRIYDNDIN-UHFFFAOYSA-N
Molecular Formula C11H12O2
7,205

1,3,5-Tris(4-iodophenyl)benzene 98.0+%, TCI America™

CAS: 151417-38-8 Molecular Formula: C24H15I3 Molecular Weight (g/mol): 684.097 MDL Number: MFCD07369795 InChI Key: KGLWDSJGGFTHHD-UHFFFAOYSA-N PubChem CID: 10842293 IUPAC Name: 1,3,5-tris(4-iodophenyl)benzene SMILES: C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)I)C4=CC=C(C=C4)I)I

PubChem CID 10842293
CAS 151417-38-8
Molecular Weight (g/mol) 684.097
MDL Number MFCD07369795
SMILES C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)I)C4=CC=C(C=C4)I)I
IUPAC Name 1,3,5-tris(4-iodophenyl)benzene
InChI Key KGLWDSJGGFTHHD-UHFFFAOYSA-N
Molecular Formula C24H15I3
7,206

3-(Trifluoromethoxy)phenylacetic Acid 95.0+%, TCI America™

CAS: 203302-97-0 Molecular Formula: C9H7F3O3 Molecular Weight (g/mol): 220.147 MDL Number: MFCD00082480 InChI Key: NFZQVADYFXRRPM-UHFFFAOYSA-N Synonym: 3-trifluoromethoxy phenylacetic acid,3-trifluoromethoxyphenylacetic acid,2-3-trifluoromethoxy phenyl acetic acid,benzeneacetic acid, 3-trifluoromethoxy,3-trifluoromethoxy phenylaceticacid,3-trifluoromethoxy phenyl acetic acid,3-trifluoromethoxyphenylaceticacid,pubchem4221,acmc-209f8q PubChem CID: 2777316 IUPAC Name: 2-[3-(trifluoromethoxy)phenyl]acetic acid SMILES: C1=CC(=CC(=C1)OC(F)(F)F)CC(=O)O

PubChem CID 2777316
CAS 203302-97-0
Molecular Weight (g/mol) 220.147
MDL Number MFCD00082480
SMILES C1=CC(=CC(=C1)OC(F)(F)F)CC(=O)O
Synonym 3-trifluoromethoxy phenylacetic acid,3-trifluoromethoxyphenylacetic acid,2-3-trifluoromethoxy phenyl acetic acid,benzeneacetic acid, 3-trifluoromethoxy,3-trifluoromethoxy phenylaceticacid,3-trifluoromethoxy phenyl acetic acid,3-trifluoromethoxyphenylaceticacid,pubchem4221,acmc-209f8q
IUPAC Name 2-[3-(trifluoromethoxy)phenyl]acetic acid
InChI Key NFZQVADYFXRRPM-UHFFFAOYSA-N
Molecular Formula C9H7F3O3
7,207

4-Cyano-trans-stilbene 96.0+%, TCI America™

CAS: 13041-79-7 Molecular Formula: C15H11N Molecular Weight (g/mol): 205.26 MDL Number: MFCD00489188 InChI Key: WQUHPLQCUQJSQW-UHFFFAOYSA-N Synonym: trans-Stilbene-4-carbonitrile, (E)-4-Styrylbenzonitrile PubChem CID: 5375774 IUPAC Name: 4-(2-phenylethenyl)benzonitrile SMILES: N#CC1=CC=C(C=CC2=CC=CC=C2)C=C1

PubChem CID 5375774
CAS 13041-79-7
Molecular Weight (g/mol) 205.26
MDL Number MFCD00489188
SMILES N#CC1=CC=C(C=CC2=CC=CC=C2)C=C1
Synonym trans-Stilbene-4-carbonitrile, (E)-4-Styrylbenzonitrile
IUPAC Name 4-(2-phenylethenyl)benzonitrile
InChI Key WQUHPLQCUQJSQW-UHFFFAOYSA-N
Molecular Formula C15H11N
7,208

2-Methyl-5-nitrobenzaldehyde 98.0+%, TCI America™

CAS: 16634-91-6 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.148 MDL Number: MFCD03840506 InChI Key: JLFWTLNLOSUFMU-UHFFFAOYSA-N PubChem CID: 12654145 IUPAC Name: 2-methyl-5-nitrobenzaldehyde SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C=O

PubChem CID 12654145
CAS 16634-91-6
Molecular Weight (g/mol) 165.148
MDL Number MFCD03840506
SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])C=O
IUPAC Name 2-methyl-5-nitrobenzaldehyde
InChI Key JLFWTLNLOSUFMU-UHFFFAOYSA-N
Molecular Formula C8H7NO3
7,209

Pentafluorophenyl Trifluoromethanesulfonate 97.0+%, TCI America™

CAS: 60129-85-3 Molecular Formula: C7F8O3S Molecular Weight (g/mol): 316.121 MDL Number: MFCD07784319 InChI Key: OTTBRWDUQHDNBY-UHFFFAOYSA-N Synonym: Trifluoromethanesulfonic Acid Pentafluorophenyl Ester, Pentafluorophenyl Triflate PubChem CID: 10041425 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) trifluoromethanesulfonate SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)OS(=O)(=O)C(F)(F)F

PubChem CID 10041425
CAS 60129-85-3
Molecular Weight (g/mol) 316.121
MDL Number MFCD07784319
SMILES C1(=C(C(=C(C(=C1F)F)F)F)F)OS(=O)(=O)C(F)(F)F
Synonym Trifluoromethanesulfonic Acid Pentafluorophenyl Ester, Pentafluorophenyl Triflate
IUPAC Name (2,3,4,5,6-pentafluorophenyl) trifluoromethanesulfonate
InChI Key OTTBRWDUQHDNBY-UHFFFAOYSA-N
Molecular Formula C7F8O3S
7,210

Sodium 2-Chlorotoluene-4-sulfonate 95.0+%, TCI America™

CAS: 5138-91-0 Molecular Formula: C7H6ClNaO3S Molecular Weight (g/mol): 228.622 MDL Number: MFCD00053619 InChI Key: FQFDFCOTXFCZMB-UHFFFAOYSA-M Synonym: 2-Chlorotoluene-4-sulfonic Acid Sodium Salt, Sodium 3-Chloro-4-methylbenzenesulfonate PubChem CID: 23678886 IUPAC Name: sodium;3-chloro-4-methylbenzenesulfonate SMILES: CC1=C(C=C(C=C1)S(=O)(=O)[O-])Cl.[Na+]

PubChem CID 23678886
CAS 5138-91-0
Molecular Weight (g/mol) 228.622
MDL Number MFCD00053619
SMILES CC1=C(C=C(C=C1)S(=O)(=O)[O-])Cl.[Na+]
Synonym 2-Chlorotoluene-4-sulfonic Acid Sodium Salt, Sodium 3-Chloro-4-methylbenzenesulfonate
IUPAC Name sodium;3-chloro-4-methylbenzenesulfonate
InChI Key FQFDFCOTXFCZMB-UHFFFAOYSA-M
Molecular Formula C7H6ClNaO3S
7,211

2-Ethoxybenzonitrile 98.0+%, TCI America™

CAS: 6609-57-0 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00001789 InChI Key: DXTLCLWOCYLDHL-UHFFFAOYSA-N Synonym: o-ethoxybenzonitrile,benzonitrile, ethoxy,2-ethoxybenzenecarbonitrile,o-ethoxybenzontrle,acmc-20anwu,2-ethoxy benzonitrile,2-ethoxy-benzonitrile,pubchem4773,benzonitrile, 2-ethoxy,2-ethoxybenzonitrile PubChem CID: 576922 IUPAC Name: 2-ethoxybenzonitrile SMILES: CCOC1=CC=CC=C1C#N

PubChem CID 576922
CAS 6609-57-0
Molecular Weight (g/mol) 147.177
MDL Number MFCD00001789
SMILES CCOC1=CC=CC=C1C#N
Synonym o-ethoxybenzonitrile,benzonitrile, ethoxy,2-ethoxybenzenecarbonitrile,o-ethoxybenzontrle,acmc-20anwu,2-ethoxy benzonitrile,2-ethoxy-benzonitrile,pubchem4773,benzonitrile, 2-ethoxy,2-ethoxybenzonitrile
IUPAC Name 2-ethoxybenzonitrile
InChI Key DXTLCLWOCYLDHL-UHFFFAOYSA-N
Molecular Formula C9H9NO
7,212

4-Methyl-1-acetonaphthone 97.0+%, TCI America™

CAS: 28418-86-2 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.238 MDL Number: MFCD00671556 InChI Key: BKGIZYOJHJKFJP-UHFFFAOYSA-N Synonym: 1-Acetyl-4-methylnaphthalene PubChem CID: 97645 IUPAC Name: 1-(4-methylnaphthalen-1-yl)ethanone SMILES: CC1=CC=C(C2=CC=CC=C12)C(=O)C

PubChem CID 97645
CAS 28418-86-2
Molecular Weight (g/mol) 184.238
MDL Number MFCD00671556
SMILES CC1=CC=C(C2=CC=CC=C12)C(=O)C
Synonym 1-Acetyl-4-methylnaphthalene
IUPAC Name 1-(4-methylnaphthalen-1-yl)ethanone
InChI Key BKGIZYOJHJKFJP-UHFFFAOYSA-N
Molecular Formula C13H12O
7,213

3-Fluorophenylacetic Acid 98.0+%, TCI America™

CAS: 331-25-9 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00004331 InChI Key: YEAUYVGUXSZCFI-UHFFFAOYSA-N Synonym: 3-fluorophenylacetic acid,2-3-fluorophenyl acetic acid,m-fluorophenylacetic acid,benzeneacetic acid, 3-fluoro,3-fluorophenyl acetic acid,3-fluorophenlacetic acid,acetic acid, m-fluorophenyl,m-fluorophenyl acetic acid,3-fluorophenylaceticacid PubChem CID: 67617 IUPAC Name: 2-(3-fluorophenyl)acetic acid SMILES: OC(=O)CC1=CC=CC(F)=C1

PubChem CID 67617
CAS 331-25-9
Molecular Weight (g/mol) 154.14
MDL Number MFCD00004331
SMILES OC(=O)CC1=CC=CC(F)=C1
Synonym 3-fluorophenylacetic acid,2-3-fluorophenyl acetic acid,m-fluorophenylacetic acid,benzeneacetic acid, 3-fluoro,3-fluorophenyl acetic acid,3-fluorophenlacetic acid,acetic acid, m-fluorophenyl,m-fluorophenyl acetic acid,3-fluorophenylaceticacid
IUPAC Name 2-(3-fluorophenyl)acetic acid
InChI Key YEAUYVGUXSZCFI-UHFFFAOYSA-N
Molecular Formula C8H7FO2
7,214

4-Fluoro-2-nitrotoluene 96.0+%, TCI America™

CAS: 446-10-6 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD00007200 InChI Key: SKWTUNAAJNDEIK-UHFFFAOYSA-N Synonym: 4-fluoro-2-nitrotoluene,2-nitro-4-fluorotoluene,benzene, 4-fluoro-1-methyl-2-nitro,toluene, 4-fluoro-2-nitro,4-fluoro-2-nitrobenzene,5-fluoro-2-methylnitrobenzene,4-fluoro-2-nitro toluene,4-fluoro-1-methyl-2-nitro-benzene,4-fluoronitrotoluene,zlchem 482 PubChem CID: 67965 IUPAC Name: 4-fluoro-1-methyl-2-nitrobenzene SMILES: CC1=C(C=C(C=C1)F)[N+](=O)[O-]

PubChem CID 67965
CAS 446-10-6
Molecular Weight (g/mol) 155.128
MDL Number MFCD00007200
SMILES CC1=C(C=C(C=C1)F)[N+](=O)[O-]
Synonym 4-fluoro-2-nitrotoluene,2-nitro-4-fluorotoluene,benzene, 4-fluoro-1-methyl-2-nitro,toluene, 4-fluoro-2-nitro,4-fluoro-2-nitrobenzene,5-fluoro-2-methylnitrobenzene,4-fluoro-2-nitro toluene,4-fluoro-1-methyl-2-nitro-benzene,4-fluoronitrotoluene,zlchem 482
IUPAC Name 4-fluoro-1-methyl-2-nitrobenzene
InChI Key SKWTUNAAJNDEIK-UHFFFAOYSA-N
Molecular Formula C7H6FNO2
7,215

Bianthronyl 97.0+%, TCI America™

CAS: 434-84-4 Molecular Formula: C28H18O2 Molecular Weight (g/mol): 386.45 MDL Number: MFCD00019128 InChI Key: ZQXZUOJNJXNUEO-UHFFFAOYSA-N PubChem CID: 97174 IUPAC Name: 10-(10-oxo-9H-anthracen-9-yl)-10H-anthracen-9-one SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3C2=O)C4C5=CC=CC=C5C(=O)C6=CC=CC=C46

PubChem CID 97174
CAS 434-84-4
Molecular Weight (g/mol) 386.45
MDL Number MFCD00019128
SMILES C1=CC=C2C(=C1)C(C3=CC=CC=C3C2=O)C4C5=CC=CC=C5C(=O)C6=CC=CC=C46
IUPAC Name 10-(10-oxo-9H-anthracen-9-yl)-10H-anthracen-9-one
InChI Key ZQXZUOJNJXNUEO-UHFFFAOYSA-N
Molecular Formula C28H18O2