ethyl (2S,3S)-5-oxo-2,3-diphenyloxolane-2-carboxylate

C19H18O4 — CID 121320867

IUPACethyl (2S,3S)-5-oxo-2,3-diphenyloxolane-2-carboxylate
SMILESCCOC(=O)[C@]1(c2ccccc2)OC(=O)C[C@H]1c1ccccc1
InChIInChI=1S/C19H18O4/c1-2-22-18(21)19(15-11-7-4-8-12-15)16(13-17(20)23-19)14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3/t16-,19+/m0/s1
InChIKeyCRRWUQGPXWDKCY-QFBILLFUSA-N
MW310.35 g/mol
LogP3.18
Rot. Bonds4

About ethyl (2S,3S)-5-oxo-2,3-diphenyloxolane-2-carboxylate

ethyl (2S,3S)-5-oxo-2,3-diphenyloxolane-2-carboxylate (PubChem CID 121320867) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl (2S,3S)-5-oxo-2,3-diphenyloxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,3S)-5-oxo-2,3-diphenyloxolane-2-carboxylate
PubChem CID121320867
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Nameethyl (2S,3S)-5-oxo-2,3-diphenyloxolane-2-carboxylate
SMILESCCOC(=O)[C@]1(c2ccccc2)OC(=O)C[C@H]1c1ccccc1
InChIInChI=1S/C19H18O4/c1-2-22-18(21)19(15-11-7-4-8-12-15)16(13-17(20)23-19)14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3/t16-,19+/m0/s1
InChIKeyCRRWUQGPXWDKCY-QFBILLFUSA-N
XLogP3.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (2S,3S)-5-oxo-2,3-diphenyloxolane-2-carboxylate 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 ethyl (2S,3S)-5-oxo-2,3-diphenyloxolane-2-carboxylate?
The IUPAC name of ethyl (2S,3S)-5-oxo-2,3-diphenyloxolane-2-carboxylate (CID 121320867) is ethyl (2S,3S)-5-oxo-2,3-diphenyloxolane-2-carboxylate.
What is the SMILES notation for ethyl (2S,3S)-5-oxo-2,3-diphenyloxolane-2-carboxylate?
The canonical SMILES for ethyl (2S,3S)-5-oxo-2,3-diphenyloxolane-2-carboxylate is CCOC(=O)[C@]1(c2ccccc2)OC(=O)C[C@H]1c1ccccc1.
What is the InChIKey of ethyl (2S,3S)-5-oxo-2,3-diphenyloxolane-2-carboxylate?
The InChIKey is CRRWUQGPXWDKCY-QFBILLFUSA-N. The full InChI is InChI=1S/C19H18O4/c1-2-22-18(21)19(15-11-7-4-8-12-15)16(13-17(20)23-19)14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3/t16-,19+/m0/s1.
What are the key properties of ethyl (2S,3S)-5-oxo-2,3-diphenyloxolane-2-carboxylate?
ethyl (2S,3S)-5-oxo-2,3-diphenyloxolane-2-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S)-5-oxo-2,3-diphenyloxolane-2-carboxylate is sourced from PubChem (CID 121320867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).