(4S,5S)-4-(2-hydroxyethyl)-5-phenyloxolan-2-one

C12H14O3 — CID 11424286

IUPAC(4S,5S)-4-(2-hydroxyethyl)-5-phenyloxolan-2-one
SMILESO=C1C[C@H](CCO)[C@@H](c2ccccc2)O1
InChIInChI=1S/C12H14O3/c13-7-6-10-8-11(14)15-12(10)9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2/t10-,12+/m0/s1
InChIKeyNHHJDVSCPVVPPR-CMPLNLGQSA-N
MW206.24 g/mol
LogP1.67
Rot. Bonds3

About (4S,5S)-4-(2-hydroxyethyl)-5-phenyloxolan-2-one

(4S,5S)-4-(2-hydroxyethyl)-5-phenyloxolan-2-one (PubChem CID 11424286) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (4S,5S)-4-(2-hydroxyethyl)-5-phenyloxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-4-(2-hydroxyethyl)-5-phenyloxolan-2-one
PubChem CID11424286
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(4S,5S)-4-(2-hydroxyethyl)-5-phenyloxolan-2-one
SMILESO=C1C[C@H](CCO)[C@@H](c2ccccc2)O1
InChIInChI=1S/C12H14O3/c13-7-6-10-8-11(14)15-12(10)9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2/t10-,12+/m0/s1
InChIKeyNHHJDVSCPVVPPR-CMPLNLGQSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S,5S)-4-(2-hydroxyethyl)-5-phenyloxolan-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

Related Compounds

(4S,5S)-4-amino-5-phenyloxolan-2-one
CID 10867626
(4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride
CID 67643297
(2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid
CID 825874
N-(4-ethoxyphenyl)-3-[(2S,3S)-5-oxo-2-phenyloxolan-3-yl]propanamide
CID 7451686
(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one
CID 25179342
4-(4-methylphenyl)-5-phenyloxolan-2-one
CID 144706058
4-(4-bromophenyl)-5-phenyloxolan-2-one
CID 144706057
4-(furan-2-yl)-5-phenyloxolan-2-one
CID 144706049
(4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one
CID 15448194
(4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one
CID 132551217
ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate
CID 14399422
(2R,3R)-5-oxo-2-phenyloxolane-3-carboxylic acid;1-phenylethanamine
CID 10131410

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(2-hydroxyethyl)-5-phenyloxolan-2-one?
The IUPAC name of (4S,5S)-4-(2-hydroxyethyl)-5-phenyloxolan-2-one (CID 11424286) is (4S,5S)-4-(2-hydroxyethyl)-5-phenyloxolan-2-one.
What is the SMILES notation for (4S,5S)-4-(2-hydroxyethyl)-5-phenyloxolan-2-one?
The canonical SMILES for (4S,5S)-4-(2-hydroxyethyl)-5-phenyloxolan-2-one is O=C1C[C@H](CCO)[C@@H](c2ccccc2)O1.
What is the InChIKey of (4S,5S)-4-(2-hydroxyethyl)-5-phenyloxolan-2-one?
The InChIKey is NHHJDVSCPVVPPR-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H14O3/c13-7-6-10-8-11(14)15-12(10)9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2/t10-,12+/m0/s1.
What are the key properties of (4S,5S)-4-(2-hydroxyethyl)-5-phenyloxolan-2-one?
(4S,5S)-4-(2-hydroxyethyl)-5-phenyloxolan-2-one has a molecular weight of 206.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(2-hydroxyethyl)-5-phenyloxolan-2-one is sourced from PubChem (CID 11424286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).