2-(1-phenylcyclopentyl)acetic acid

C13H16O2 — CID 19966045

IUPAC2-(1-phenylcyclopentyl)acetic acid
SMILESO=C(O)CC1(c2ccccc2)CCCC1
InChIInChI=1S/C13H16O2/c14-12(15)10-13(8-4-5-9-13)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,14,15)
InChIKeyHQLHNHOWMVAWQK-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.97
Rot. Bonds3

About 2-(1-phenylcyclopentyl)acetic acid

2-(1-phenylcyclopentyl)acetic acid (PubChem CID 19966045) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(1-phenylcyclopentyl)acetic acid.

Molecular Properties

Compound Name2-(1-phenylcyclopentyl)acetic acid
PubChem CID19966045
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-(1-phenylcyclopentyl)acetic acid
SMILESO=C(O)CC1(c2ccccc2)CCCC1
InChIInChI=1S/C13H16O2/c14-12(15)10-13(8-4-5-9-13)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,14,15)
InChIKeyHQLHNHOWMVAWQK-UHFFFAOYSA-N
XLogP2.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylcyclopentyl)acetic acid?
The IUPAC name of 2-(1-phenylcyclopentyl)acetic acid (CID 19966045) is 2-(1-phenylcyclopentyl)acetic acid.
What is the SMILES notation for 2-(1-phenylcyclopentyl)acetic acid?
The canonical SMILES for 2-(1-phenylcyclopentyl)acetic acid is O=C(O)CC1(c2ccccc2)CCCC1.
What is the InChIKey of 2-(1-phenylcyclopentyl)acetic acid?
The InChIKey is HQLHNHOWMVAWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c14-12(15)10-13(8-4-5-9-13)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,14,15).
What are the key properties of 2-(1-phenylcyclopentyl)acetic acid?
2-(1-phenylcyclopentyl)acetic acid has a molecular weight of 204.27 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylcyclopentyl)acetic acid is sourced from PubChem (CID 19966045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).