(5S)-5-(phenylmethoxymethyl)oxolan-3-one

C12H14O3 — CID 168857190

IUPAC(5S)-5-(phenylmethoxymethyl)oxolan-3-one
SMILESO=C1CO[C@H](COCc2ccccc2)C1
InChIInChI=1S/C12H14O3/c13-11-6-12(15-8-11)9-14-7-10-4-2-1-3-5-10/h1-5,12H,6-9H2/t12-/m0/s1
InChIKeyADAONFFOQYCHGZ-LBPRGKRZSA-N
MW206.24 g/mol
LogP1.56
Rot. Bonds4

About (5S)-5-(phenylmethoxymethyl)oxolan-3-one

(5S)-5-(phenylmethoxymethyl)oxolan-3-one (PubChem CID 168857190) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (5S)-5-(phenylmethoxymethyl)oxolan-3-one.

Molecular Properties

Compound Name(5S)-5-(phenylmethoxymethyl)oxolan-3-one
PubChem CID168857190
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(5S)-5-(phenylmethoxymethyl)oxolan-3-one
SMILESO=C1CO[C@H](COCc2ccccc2)C1
InChIInChI=1S/C12H14O3/c13-11-6-12(15-8-11)9-14-7-10-4-2-1-3-5-10/h1-5,12H,6-9H2/t12-/m0/s1
InChIKeyADAONFFOQYCHGZ-LBPRGKRZSA-N
XLogP1.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-5-(phenylmethoxymethyl)oxolan-3-one 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

4,5-dimethyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 154712027
3-(phenylmethoxymethyl)cyclobutan-1-one
CID 11819850
oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
CID 175076963
3-(phenylmethoxymethyl)-2-oxabicyclo[4.1.0]heptan-5-one
CID 15893535
7-(phenylmethoxymethyl)oxepan-2-one
CID 75080085
(4S,6R)-4-ethenyl-6-(phenylmethoxymethyl)oxan-2-one
CID 14667665
(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
(2R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 130750045
(2S)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 46862703
(2S)-2-(phenylmethoxymethyl)-1,4-oxazepan-5-one
CID 90354901
(2R)-4-phenyl-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one
CID 14667648
(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10680435

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(phenylmethoxymethyl)oxolan-3-one?
The IUPAC name of (5S)-5-(phenylmethoxymethyl)oxolan-3-one (CID 168857190) is (5S)-5-(phenylmethoxymethyl)oxolan-3-one.
What is the SMILES notation for (5S)-5-(phenylmethoxymethyl)oxolan-3-one?
The canonical SMILES for (5S)-5-(phenylmethoxymethyl)oxolan-3-one is O=C1CO[C@H](COCc2ccccc2)C1.
What is the InChIKey of (5S)-5-(phenylmethoxymethyl)oxolan-3-one?
The InChIKey is ADAONFFOQYCHGZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14O3/c13-11-6-12(15-8-11)9-14-7-10-4-2-1-3-5-10/h1-5,12H,6-9H2/t12-/m0/s1.
What are the key properties of (5S)-5-(phenylmethoxymethyl)oxolan-3-one?
(5S)-5-(phenylmethoxymethyl)oxolan-3-one has a molecular weight of 206.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(phenylmethoxymethyl)oxolan-3-one is sourced from PubChem (CID 168857190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).