3-(3-cyclopentylphenyl)propanoic acid

C14H18O2 — CID 83836630

IUPAC3-(3-cyclopentylphenyl)propanoic acid
SMILESO=C(O)CCc1cccc(C2CCCC2)c1
InChIInChI=1S/C14H18O2/c15-14(16)9-8-11-4-3-7-13(10-11)12-5-1-2-6-12/h3-4,7,10,12H,1-2,5-6,8-9H2,(H,15,16)
InChIKeyZMKQKHNYORCUQR-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.36
Rot. Bonds4

About 3-(3-cyclopentylphenyl)propanoic acid

3-(3-cyclopentylphenyl)propanoic acid (PubChem CID 83836630) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(3-cyclopentylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-cyclopentylphenyl)propanoic acid
PubChem CID83836630
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-(3-cyclopentylphenyl)propanoic acid
SMILESO=C(O)CCc1cccc(C2CCCC2)c1
InChIInChI=1S/C14H18O2/c15-14(16)9-8-11-4-3-7-13(10-11)12-5-1-2-6-12/h3-4,7,10,12H,1-2,5-6,8-9H2,(H,15,16)
InChIKeyZMKQKHNYORCUQR-UHFFFAOYSA-N
XLogP3.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-cyclopentylphenyl)butanoic acid
CID 117336755
3-[3-(thian-4-yl)phenyl]propanoic acid
CID 117379776
3-[3-(4,4-dimethylcyclohexyl)phenyl]propanoic acid
CID 117405463
3-[3-(4-tert-butylcyclohexyl)phenyl]propanoic acid
CID 117466138
3-(3-cycloheptylphenyl)propanal
CID 117332990
3-(3-bromo-4-cyclopentylphenyl)propanoic acid
CID 117478585
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
(3-cycloheptylphenyl)methanol
CID 84672634
3-(3-cyclohexylphenyl)-2-methylpropanoic acid
CID 115006126
(2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride
CID 20637685
2-(3-cyclobutylphenyl)ethanamine
CID 83827556
4-(3-cyclopentylphenyl)butan-1-amine
CID 117310057

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentylphenyl)propanoic acid?
The IUPAC name of 3-(3-cyclopentylphenyl)propanoic acid (CID 83836630) is 3-(3-cyclopentylphenyl)propanoic acid.
What is the SMILES notation for 3-(3-cyclopentylphenyl)propanoic acid?
The canonical SMILES for 3-(3-cyclopentylphenyl)propanoic acid is O=C(O)CCc1cccc(C2CCCC2)c1.
What is the InChIKey of 3-(3-cyclopentylphenyl)propanoic acid?
The InChIKey is ZMKQKHNYORCUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-14(16)9-8-11-4-3-7-13(10-11)12-5-1-2-6-12/h3-4,7,10,12H,1-2,5-6,8-9H2,(H,15,16).
What are the key properties of 3-(3-cyclopentylphenyl)propanoic acid?
3-(3-cyclopentylphenyl)propanoic acid has a molecular weight of 218.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentylphenyl)propanoic acid is sourced from PubChem (CID 83836630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).