(2S,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid

C11H9ClO4 — CID 97034924

IUPAC(2S,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid
SMILESO=C1C[C@@H](C(=O)O)[C@@H](c2ccc(Cl)cc2)O1
InChIInChI=1S/C11H9ClO4/c12-7-3-1-6(2-4-7)10-8(11(14)15)5-9(13)16-10/h1-4,8,10H,5H2,(H,14,15)/t8-,10-/m1/s1
InChIKeyWJCJCSBZEIWYTB-PSASIEDQSA-N
MW240.64 g/mol
LogP2.03
Rot. Bonds2

About (2S,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid

(2S,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid (PubChem CID 97034924) has the molecular formula C11H9ClO4 and a molecular weight of 240.64 g/mol. Its IUPAC name is (2S,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid
PubChem CID97034924
Molecular FormulaC11H9ClO4
Molecular Weight240.64 g/mol
Exact Mass240.02
IUPAC Name(2S,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid
SMILESO=C1C[C@@H](C(=O)O)[C@@H](c2ccc(Cl)cc2)O1
InChIInChI=1S/C11H9ClO4/c12-7-3-1-6(2-4-7)10-8(11(14)15)5-9(13)16-10/h1-4,8,10H,5H2,(H,14,15)/t8-,10-/m1/s1
InChIKeyWJCJCSBZEIWYTB-PSASIEDQSA-N
XLogP2.03
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.64
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid 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 (2S,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid?
The IUPAC name of (2S,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid (CID 97034924) is (2S,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid.
What is the SMILES notation for (2S,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid?
The canonical SMILES for (2S,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid is O=C1C[C@@H](C(=O)O)[C@@H](c2ccc(Cl)cc2)O1.
What is the InChIKey of (2S,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid?
The InChIKey is WJCJCSBZEIWYTB-PSASIEDQSA-N. The full InChI is InChI=1S/C11H9ClO4/c12-7-3-1-6(2-4-7)10-8(11(14)15)5-9(13)16-10/h1-4,8,10H,5H2,(H,14,15)/t8-,10-/m1/s1.
What are the key properties of (2S,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid?
(2S,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid has a molecular weight of 240.64 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid is sourced from PubChem (CID 97034924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).