(4S,5R)-3-methylidene-4,5-diphenyloxolan-2-one

C17H14O2 — CID 11747058

IUPAC(4S,5R)-3-methylidene-4,5-diphenyloxolan-2-one
SMILESC=C1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H14O2/c1-12-15(13-8-4-2-5-9-13)16(19-17(12)18)14-10-6-3-7-11-14/h2-11,15-16H,1H2/t15-,16+/m1/s1
InChIKeyVLJQNNIXUWORNH-CVEARBPZSA-N
MW250.30 g/mol
LogP3.62
Rot. Bonds2

About (4S,5R)-3-methylidene-4,5-diphenyloxolan-2-one

(4S,5R)-3-methylidene-4,5-diphenyloxolan-2-one (PubChem CID 11747058) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (4S,5R)-3-methylidene-4,5-diphenyloxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-3-methylidene-4,5-diphenyloxolan-2-one
PubChem CID11747058
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name(4S,5R)-3-methylidene-4,5-diphenyloxolan-2-one
SMILESC=C1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H14O2/c1-12-15(13-8-4-2-5-9-13)16(19-17(12)18)14-10-6-3-7-11-14/h2-11,15-16H,1H2/t15-,16+/m1/s1
InChIKeyVLJQNNIXUWORNH-CVEARBPZSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4S,5R)-3-methylidene-4,5-diphenyloxolan-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 (4S,5R)-3-methylidene-4,5-diphenyloxolan-2-one?
The IUPAC name of (4S,5R)-3-methylidene-4,5-diphenyloxolan-2-one (CID 11747058) is (4S,5R)-3-methylidene-4,5-diphenyloxolan-2-one.
What is the SMILES notation for (4S,5R)-3-methylidene-4,5-diphenyloxolan-2-one?
The canonical SMILES for (4S,5R)-3-methylidene-4,5-diphenyloxolan-2-one is C=C1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-3-methylidene-4,5-diphenyloxolan-2-one?
The InChIKey is VLJQNNIXUWORNH-CVEARBPZSA-N. The full InChI is InChI=1S/C17H14O2/c1-12-15(13-8-4-2-5-9-13)16(19-17(12)18)14-10-6-3-7-11-14/h2-11,15-16H,1H2/t15-,16+/m1/s1.
What are the key properties of (4S,5R)-3-methylidene-4,5-diphenyloxolan-2-one?
(4S,5R)-3-methylidene-4,5-diphenyloxolan-2-one has a molecular weight of 250.30 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-methylidene-4,5-diphenyloxolan-2-one is sourced from PubChem (CID 11747058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).