4-(3-cyclopentylphenyl)butanoic acid

C15H20O2 — CID 117336755

IUPAC4-(3-cyclopentylphenyl)butanoic acid
SMILESO=C(O)CCCc1cccc(C2CCCC2)c1
InChIInChI=1S/C15H20O2/c16-15(17)10-4-6-12-5-3-9-14(11-12)13-7-1-2-8-13/h3,5,9,11,13H,1-2,4,6-8,10H2,(H,16,17)
InChIKeySADGRUCCKQZHQK-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.75
Rot. Bonds5

About 4-(3-cyclopentylphenyl)butanoic acid

4-(3-cyclopentylphenyl)butanoic acid (PubChem CID 117336755) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-(3-cyclopentylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(3-cyclopentylphenyl)butanoic acid
PubChem CID117336755
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4-(3-cyclopentylphenyl)butanoic acid
SMILESO=C(O)CCCc1cccc(C2CCCC2)c1
InChIInChI=1S/C15H20O2/c16-15(17)10-4-6-12-5-3-9-14(11-12)13-7-1-2-8-13/h3,5,9,11,13H,1-2,4,6-8,10H2,(H,16,17)
InChIKeySADGRUCCKQZHQK-UHFFFAOYSA-N
XLogP3.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-cyclopentylphenyl)propanoic acid
CID 83836630
4-(4-cyclohexylphenyl)butanoic acid
CID 3041568
3-[3-(thian-4-yl)phenyl]propanoic acid
CID 117379776
3-[3-(4,4-dimethylcyclohexyl)phenyl]propanoic acid
CID 117405463
4-(3-cyclopentylphenyl)butan-1-amine
CID 117310057
3-[3-(4-tert-butylcyclohexyl)phenyl]propanoic acid
CID 117466138
3-(3-cyclohexylphenyl)-2-methylpropanoic acid
CID 115006126
3-(3-cycloheptylphenyl)propanal
CID 117332990
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
4-[3-(hydroxymethyl)phenyl]butanoic acid
CID 123133673
(3-cycloheptylphenyl)methanol
CID 84672634
(2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride
CID 20637685

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentylphenyl)butanoic acid?
The IUPAC name of 4-(3-cyclopentylphenyl)butanoic acid (CID 117336755) is 4-(3-cyclopentylphenyl)butanoic acid.
What is the SMILES notation for 4-(3-cyclopentylphenyl)butanoic acid?
The canonical SMILES for 4-(3-cyclopentylphenyl)butanoic acid is O=C(O)CCCc1cccc(C2CCCC2)c1.
What is the InChIKey of 4-(3-cyclopentylphenyl)butanoic acid?
The InChIKey is SADGRUCCKQZHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c16-15(17)10-4-6-12-5-3-9-14(11-12)13-7-1-2-8-13/h3,5,9,11,13H,1-2,4,6-8,10H2,(H,16,17).
What are the key properties of 4-(3-cyclopentylphenyl)butanoic acid?
4-(3-cyclopentylphenyl)butanoic acid has a molecular weight of 232.32 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentylphenyl)butanoic acid is sourced from PubChem (CID 117336755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).