3-(4-cyclopentylphenyl)-3-methylbutanoic acid

C16H22O2 — CID 117368480

IUPAC3-(4-cyclopentylphenyl)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)c1ccc(C2CCCC2)cc1
InChIInChI=1S/C16H22O2/c1-16(2,11-15(17)18)14-9-7-13(8-10-14)12-5-3-4-6-12/h7-10,12H,3-6,11H2,1-2H3,(H,17,18)
InChIKeyCOQZLPJWHGEMMH-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.10
Rot. Bonds4

About 3-(4-cyclopentylphenyl)-3-methylbutanoic acid

3-(4-cyclopentylphenyl)-3-methylbutanoic acid (PubChem CID 117368480) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(4-cyclopentylphenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(4-cyclopentylphenyl)-3-methylbutanoic acid
PubChem CID117368480
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name3-(4-cyclopentylphenyl)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)c1ccc(C2CCCC2)cc1
InChIInChI=1S/C16H22O2/c1-16(2,11-15(17)18)14-9-7-13(8-10-14)12-5-3-4-6-12/h7-10,12H,3-6,11H2,1-2H3,(H,17,18)
InChIKeyCOQZLPJWHGEMMH-UHFFFAOYSA-N
XLogP4.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-cyclopentylphenyl)-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chloro-4-cyclohexylphenyl)-3-methylbutanoic acid
CID 117475530
3-(4-cyclohexylphenyl)-3-methylbutan-2-one
CID 82294466
2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid
CID 11522654
3,3-difluoro-3-[4-(4-methylcyclohexyl)phenyl]propanoic acid
CID 162547919
4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol
CID 174733331
3-(4-cyclopropyl-3-fluorophenyl)-3-methylbutanoic acid
CID 117344907
5-(4-cyclohexylphenyl)-5,5-difluoropentanoic acid
CID 28931302
2-(4-cyclobutylphenyl)butan-2-ol
CID 116505233
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
1-amino-2-(4-cyclobutylphenyl)propan-2-ol
CID 116505464
2-(4-cyclobutylphenyl)-2-hydroxypropanal
CID 116505401
N-(bromomethyl)-2-(4-cyclohexylphenyl)-2-methylpropan-1-amine
CID 115262532

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentylphenyl)-3-methylbutanoic acid?
The IUPAC name of 3-(4-cyclopentylphenyl)-3-methylbutanoic acid (CID 117368480) is 3-(4-cyclopentylphenyl)-3-methylbutanoic acid.
What is the SMILES notation for 3-(4-cyclopentylphenyl)-3-methylbutanoic acid?
The canonical SMILES for 3-(4-cyclopentylphenyl)-3-methylbutanoic acid is CC(C)(CC(=O)O)c1ccc(C2CCCC2)cc1.
What is the InChIKey of 3-(4-cyclopentylphenyl)-3-methylbutanoic acid?
The InChIKey is COQZLPJWHGEMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-16(2,11-15(17)18)14-9-7-13(8-10-14)12-5-3-4-6-12/h7-10,12H,3-6,11H2,1-2H3,(H,17,18).
What are the key properties of 3-(4-cyclopentylphenyl)-3-methylbutanoic acid?
3-(4-cyclopentylphenyl)-3-methylbutanoic acid has a molecular weight of 246.35 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentylphenyl)-3-methylbutanoic acid is sourced from PubChem (CID 117368480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).