2-cyclopentyl-4-(5-phenyl-1H-indol-3-yl)benzoic acid

C26H23NO2 — CID 53316137

IUPAC2-cyclopentyl-4-(5-phenyl-1H-indol-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2c[nH]c3ccc(-c4ccccc4)cc23)cc1C1CCCC1
InChIInChI=1S/C26H23NO2/c28-26(29)21-12-10-20(15-22(21)18-8-4-5-9-18)24-16-27-25-13-11-19(14-23(24)25)17-6-2-1-3-7-17/h1-3,6-7,10-16,18,27H,4-5,8-9H2,(H,28,29)
InChIKeyJGNXEGUJLIATBZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP6.86
Rot. Bonds4

About 2-cyclopentyl-4-(5-phenyl-1H-indol-3-yl)benzoic acid

2-cyclopentyl-4-(5-phenyl-1H-indol-3-yl)benzoic acid (PubChem CID 53316137) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-cyclopentyl-4-(5-phenyl-1H-indol-3-yl)benzoic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-(5-phenyl-1H-indol-3-yl)benzoic acid
PubChem CID53316137
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name2-cyclopentyl-4-(5-phenyl-1H-indol-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2c[nH]c3ccc(-c4ccccc4)cc23)cc1C1CCCC1
InChIInChI=1S/C26H23NO2/c28-26(29)21-12-10-20(15-22(21)18-8-4-5-9-18)24-16-27-25-13-11-19(14-23(24)25)17-6-2-1-3-7-17/h1-3,6-7,10-16,18,27H,4-5,8-9H2,(H,28,29)
InChIKeyJGNXEGUJLIATBZ-UHFFFAOYSA-N
XLogP6.86
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(5-phenyl-1H-indol-3-yl)benzoic acid?
The IUPAC name of 2-cyclopentyl-4-(5-phenyl-1H-indol-3-yl)benzoic acid (CID 53316137) is 2-cyclopentyl-4-(5-phenyl-1H-indol-3-yl)benzoic acid.
What is the SMILES notation for 2-cyclopentyl-4-(5-phenyl-1H-indol-3-yl)benzoic acid?
The canonical SMILES for 2-cyclopentyl-4-(5-phenyl-1H-indol-3-yl)benzoic acid is O=C(O)c1ccc(-c2c[nH]c3ccc(-c4ccccc4)cc23)cc1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-(5-phenyl-1H-indol-3-yl)benzoic acid?
The InChIKey is JGNXEGUJLIATBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO2/c28-26(29)21-12-10-20(15-22(21)18-8-4-5-9-18)24-16-27-25-13-11-19(14-23(24)25)17-6-2-1-3-7-17/h1-3,6-7,10-16,18,27H,4-5,8-9H2,(H,28,29).
What are the key properties of 2-cyclopentyl-4-(5-phenyl-1H-indol-3-yl)benzoic acid?
2-cyclopentyl-4-(5-phenyl-1H-indol-3-yl)benzoic acid has a molecular weight of 381.48 g/mol, XLogP of 6.86, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(5-phenyl-1H-indol-3-yl)benzoic acid is sourced from PubChem (CID 53316137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).