(2R)-2-[(2S,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one

C13H12O3 — CID 10242415

IUPAC(2R)-2-[(2S,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@H]([C@@H]2O[C@@H]2c2ccccc2)O1
InChIInChI=1S/C13H12O3/c14-11-8-4-7-10(15-11)13-12(16-13)9-5-2-1-3-6-9/h1-6,8,10,12-13H,7H2/t10-,12-,13+/m1/s1
InChIKeyGMKNQTQLCWOLSD-RTXFEEFZSA-N
MW216.24 g/mol
LogP2.00
Rot. Bonds2

About (2R)-2-[(2S,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one

(2R)-2-[(2S,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one (PubChem CID 10242415) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2R)-2-[(2S,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(2S,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one
PubChem CID10242415
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name(2R)-2-[(2S,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@H]([C@@H]2O[C@@H]2c2ccccc2)O1
InChIInChI=1S/C13H12O3/c14-11-8-4-7-10(15-11)13-12(16-13)9-5-2-1-3-6-9/h1-6,8,10,12-13H,7H2/t10-,12-,13+/m1/s1
InChIKeyGMKNQTQLCWOLSD-RTXFEEFZSA-N
XLogP2.00
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R)-2-[(2S,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-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 (2R)-2-[(2S,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(2S,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one (CID 10242415) is (2R)-2-[(2S,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(2S,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(2S,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one is O=C1C=CC[C@H]([C@@H]2O[C@@H]2c2ccccc2)O1.
What is the InChIKey of (2R)-2-[(2S,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one?
The InChIKey is GMKNQTQLCWOLSD-RTXFEEFZSA-N. The full InChI is InChI=1S/C13H12O3/c14-11-8-4-7-10(15-11)13-12(16-13)9-5-2-1-3-6-9/h1-6,8,10,12-13H,7H2/t10-,12-,13+/m1/s1.
What are the key properties of (2R)-2-[(2S,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one?
(2R)-2-[(2S,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one has a molecular weight of 216.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 10242415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).