5-phenyl-4-phenylsulfanyloxolan-2-one

C16H14O2S — CID 12596463

IUPAC5-phenyl-4-phenylsulfanyloxolan-2-one
SMILESO=C1CC(Sc2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C16H14O2S/c17-15-11-14(19-13-9-5-2-6-10-13)16(18-15)12-7-3-1-4-8-12/h1-10,14,16H,11H2
InChIKeyIRMKWNSTFZHLMU-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.84
Rot. Bonds3

About 5-phenyl-4-phenylsulfanyloxolan-2-one

5-phenyl-4-phenylsulfanyloxolan-2-one (PubChem CID 12596463) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is 5-phenyl-4-phenylsulfanyloxolan-2-one.

Molecular Properties

Compound Name5-phenyl-4-phenylsulfanyloxolan-2-one
PubChem CID12596463
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name5-phenyl-4-phenylsulfanyloxolan-2-one
SMILESO=C1CC(Sc2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C16H14O2S/c17-15-11-14(19-13-9-5-2-6-10-13)16(18-15)12-7-3-1-4-8-12/h1-10,14,16H,11H2
InChIKeyIRMKWNSTFZHLMU-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-phenyl-4-phenylsulfanyloxolan-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-phenyl-4-phenylsulfanyloxolan-2-one?
The IUPAC name of 5-phenyl-4-phenylsulfanyloxolan-2-one (CID 12596463) is 5-phenyl-4-phenylsulfanyloxolan-2-one.
What is the SMILES notation for 5-phenyl-4-phenylsulfanyloxolan-2-one?
The canonical SMILES for 5-phenyl-4-phenylsulfanyloxolan-2-one is O=C1CC(Sc2ccccc2)C(c2ccccc2)O1.
What is the InChIKey of 5-phenyl-4-phenylsulfanyloxolan-2-one?
The InChIKey is IRMKWNSTFZHLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S/c17-15-11-14(19-13-9-5-2-6-10-13)16(18-15)12-7-3-1-4-8-12/h1-10,14,16H,11H2.
What are the key properties of 5-phenyl-4-phenylsulfanyloxolan-2-one?
5-phenyl-4-phenylsulfanyloxolan-2-one has a molecular weight of 270.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-phenylsulfanyloxolan-2-one is sourced from PubChem (CID 12596463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).