5-(1-phenylpropyl)oxolan-2-one

C13H16O2 — CID 21037695

IUPAC5-(1-phenylpropyl)oxolan-2-one
SMILESCCC(c1ccccc1)C1CCC(=O)O1
InChIInChI=1S/C13H16O2/c1-2-11(10-6-4-3-5-7-10)12-8-9-13(14)15-12/h3-7,11-12H,2,8-9H2,1H3
InChIKeyBCRQJMAGNGEMJJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.89
Rot. Bonds3

About 5-(1-phenylpropyl)oxolan-2-one

5-(1-phenylpropyl)oxolan-2-one (PubChem CID 21037695) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-(1-phenylpropyl)oxolan-2-one.

Molecular Properties

Compound Name5-(1-phenylpropyl)oxolan-2-one
PubChem CID21037695
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name5-(1-phenylpropyl)oxolan-2-one
SMILESCCC(c1ccccc1)C1CCC(=O)O1
InChIInChI=1S/C13H16O2/c1-2-11(10-6-4-3-5-7-10)12-8-9-13(14)15-12/h3-7,11-12H,2,8-9H2,1H3
InChIKeyBCRQJMAGNGEMJJ-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(1-phenylpropyl)oxolan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylpropyl)oxolan-2-one?
The IUPAC name of 5-(1-phenylpropyl)oxolan-2-one (CID 21037695) is 5-(1-phenylpropyl)oxolan-2-one.
What is the SMILES notation for 5-(1-phenylpropyl)oxolan-2-one?
The canonical SMILES for 5-(1-phenylpropyl)oxolan-2-one is CCC(c1ccccc1)C1CCC(=O)O1.
What is the InChIKey of 5-(1-phenylpropyl)oxolan-2-one?
The InChIKey is BCRQJMAGNGEMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-11(10-6-4-3-5-7-10)12-8-9-13(14)15-12/h3-7,11-12H,2,8-9H2,1H3.
What are the key properties of 5-(1-phenylpropyl)oxolan-2-one?
5-(1-phenylpropyl)oxolan-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylpropyl)oxolan-2-one is sourced from PubChem (CID 21037695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).