(3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one

C13H16O3 — CID 176589467

IUPAC(3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one
SMILESC[C@@]1(COCc2ccccc2)CCOC1=O
InChIInChI=1S/C13H16O3/c1-13(7-8-16-12(13)14)10-15-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3/t13-/m0/s1
InChIKeyOMPWKYKOKVZONU-ZDUSSCGKSA-N
MW220.27 g/mol
LogP2.16
Rot. Bonds4

About (3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one

(3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one (PubChem CID 176589467) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one
PubChem CID176589467
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one
SMILESC[C@@]1(COCc2ccccc2)CCOC1=O
InChIInChI=1S/C13H16O3/c1-13(7-8-16-12(13)14)10-15-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3/t13-/m0/s1
InChIKeyOMPWKYKOKVZONU-ZDUSSCGKSA-N
XLogP2.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3-methyl-3-(phenylmethoxymethyl)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 (3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one?
The IUPAC name of (3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one (CID 176589467) is (3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one.
What is the SMILES notation for (3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one?
The canonical SMILES for (3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one is C[C@@]1(COCc2ccccc2)CCOC1=O.
What is the InChIKey of (3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one?
The InChIKey is OMPWKYKOKVZONU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16O3/c1-13(7-8-16-12(13)14)10-15-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one?
(3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one has a molecular weight of 220.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one is sourced from PubChem (CID 176589467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).