(3S,5S)-5-benzyl-3-hydroxyoxolan-2-one

C11H12O3 — CID 10465172

IUPAC(3S,5S)-5-benzyl-3-hydroxyoxolan-2-one
SMILESO=C1O[C@@H](Cc2ccccc2)C[C@@H]1O
InChIInChI=1S/C11H12O3/c12-10-7-9(14-11(10)13)6-8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10-/m0/s1
InChIKeyQDWGWZDQSRYLTG-UWVGGRQHSA-N
MW192.21 g/mol
LogP0.91
Rot. Bonds2

About (3S,5S)-5-benzyl-3-hydroxyoxolan-2-one

(3S,5S)-5-benzyl-3-hydroxyoxolan-2-one (PubChem CID 10465172) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (3S,5S)-5-benzyl-3-hydroxyoxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-5-benzyl-3-hydroxyoxolan-2-one
PubChem CID10465172
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(3S,5S)-5-benzyl-3-hydroxyoxolan-2-one
SMILESO=C1O[C@@H](Cc2ccccc2)C[C@@H]1O
InChIInChI=1S/C11H12O3/c12-10-7-9(14-11(10)13)6-8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10-/m0/s1
InChIKeyQDWGWZDQSRYLTG-UWVGGRQHSA-N
XLogP0.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,5S)-5-benzyl-3-hydroxyoxolan-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,5S)-5-benzyl-3-hydroxyoxolan-2-one?
The IUPAC name of (3S,5S)-5-benzyl-3-hydroxyoxolan-2-one (CID 10465172) is (3S,5S)-5-benzyl-3-hydroxyoxolan-2-one.
What is the SMILES notation for (3S,5S)-5-benzyl-3-hydroxyoxolan-2-one?
The canonical SMILES for (3S,5S)-5-benzyl-3-hydroxyoxolan-2-one is O=C1O[C@@H](Cc2ccccc2)C[C@@H]1O.
What is the InChIKey of (3S,5S)-5-benzyl-3-hydroxyoxolan-2-one?
The InChIKey is QDWGWZDQSRYLTG-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H12O3/c12-10-7-9(14-11(10)13)6-8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10-/m0/s1.
What are the key properties of (3S,5S)-5-benzyl-3-hydroxyoxolan-2-one?
(3S,5S)-5-benzyl-3-hydroxyoxolan-2-one has a molecular weight of 192.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-benzyl-3-hydroxyoxolan-2-one is sourced from PubChem (CID 10465172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).