2-[2-(2-carboxyphenyl)-6-cyclopentyl-3-phenylphenyl]benzoic acid

C31H26O4 — CID 151948062

IUPAC2-[2-(2-carboxyphenyl)-6-cyclopentyl-3-phenylphenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1c(-c2ccccc2)ccc(C2CCCC2)c1-c1ccccc1C(=O)O
InChIInChI=1S/C31H26O4/c32-30(33)26-16-8-6-14-24(26)28-22(20-10-2-1-3-11-20)18-19-23(21-12-4-5-13-21)29(28)25-15-7-9-17-27(25)31(34)35/h1-3,6-11,14-19,21H,4-5,12-13H2,(H,32,33)(H,34,35)
InChIKeyTWBBSCXMEHFFSX-UHFFFAOYSA-N
MW462.55 g/mol
LogP7.74
Rot. Bonds6

About 2-[2-(2-carboxyphenyl)-6-cyclopentyl-3-phenylphenyl]benzoic acid

2-[2-(2-carboxyphenyl)-6-cyclopentyl-3-phenylphenyl]benzoic acid (PubChem CID 151948062) has the molecular formula C31H26O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-[2-(2-carboxyphenyl)-6-cyclopentyl-3-phenylphenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-carboxyphenyl)-6-cyclopentyl-3-phenylphenyl]benzoic acid
PubChem CID151948062
Molecular FormulaC31H26O4
Molecular Weight462.55 g/mol
Exact Mass462.18
IUPAC Name2-[2-(2-carboxyphenyl)-6-cyclopentyl-3-phenylphenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1c(-c2ccccc2)ccc(C2CCCC2)c1-c1ccccc1C(=O)O
InChIInChI=1S/C31H26O4/c32-30(33)26-16-8-6-14-24(26)28-22(20-10-2-1-3-11-20)18-19-23(21-12-4-5-13-21)29(28)25-15-7-9-17-27(25)31(34)35/h1-3,6-11,14-19,21H,4-5,12-13H2,(H,32,33)(H,34,35)
InChIKeyTWBBSCXMEHFFSX-UHFFFAOYSA-N
XLogP7.74
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 57.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 141238749
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3-cyclopentylphthalic acid;phthalic acid
CID 70581040
2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 101121393
acetylene;2-phenylbenzoic acid
CID 67726329
2-hydroxy-3-phenylbenzoic acid;hydrate
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1-cyclobutyl-2-phenylbenzene
CID 23453799
2-hydroxy-3-(2-phenylphenyl)benzoic acid
CID 67822406
2-[2-(2-carboxyphenyl)-3-cyclopentyl-4,6-dipropylphenyl]benzoic acid
CID 151307138
2-[2-(2-carboxyphenyl)-3-cyclopentyl-6-ethyl-4-methylphenyl]benzoic acid
CID 150190411
azane;1-cyclopropyl-2-phenylbenzene
CID 174547513
2-(5-cycloheptyl-1,3,4-oxadiazol-2-yl)benzoic acid
CID 81436210

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-carboxyphenyl)-6-cyclopentyl-3-phenylphenyl]benzoic acid?
The IUPAC name of 2-[2-(2-carboxyphenyl)-6-cyclopentyl-3-phenylphenyl]benzoic acid (CID 151948062) is 2-[2-(2-carboxyphenyl)-6-cyclopentyl-3-phenylphenyl]benzoic acid.
What is the SMILES notation for 2-[2-(2-carboxyphenyl)-6-cyclopentyl-3-phenylphenyl]benzoic acid?
The canonical SMILES for 2-[2-(2-carboxyphenyl)-6-cyclopentyl-3-phenylphenyl]benzoic acid is O=C(O)c1ccccc1-c1c(-c2ccccc2)ccc(C2CCCC2)c1-c1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(2-carboxyphenyl)-6-cyclopentyl-3-phenylphenyl]benzoic acid?
The InChIKey is TWBBSCXMEHFFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26O4/c32-30(33)26-16-8-6-14-24(26)28-22(20-10-2-1-3-11-20)18-19-23(21-12-4-5-13-21)29(28)25-15-7-9-17-27(25)31(34)35/h1-3,6-11,14-19,21H,4-5,12-13H2,(H,32,33)(H,34,35).
What are the key properties of 2-[2-(2-carboxyphenyl)-6-cyclopentyl-3-phenylphenyl]benzoic acid?
2-[2-(2-carboxyphenyl)-6-cyclopentyl-3-phenylphenyl]benzoic acid has a molecular weight of 462.55 g/mol, XLogP of 7.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-carboxyphenyl)-6-cyclopentyl-3-phenylphenyl]benzoic acid is sourced from PubChem (CID 151948062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).