(4R,5S)-5-(4-chlorophenyl)-4-methyloxolan-2-one

C11H11ClO2 — CID 10846157

IUPAC(4R,5S)-5-(4-chlorophenyl)-4-methyloxolan-2-one
SMILESC[C@@H]1CC(=O)O[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO2/c1-7-6-10(13)14-11(7)8-2-4-9(12)5-3-8/h2-5,7,11H,6H2,1H3/t7-,11+/m1/s1
InChIKeyQPJCPDRHKDSBAY-HQJQHLMTSA-N
MW210.66 g/mol
LogP2.96
Rot. Bonds1

About (4R,5S)-5-(4-chlorophenyl)-4-methyloxolan-2-one

(4R,5S)-5-(4-chlorophenyl)-4-methyloxolan-2-one (PubChem CID 10846157) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is (4R,5S)-5-(4-chlorophenyl)-4-methyloxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-5-(4-chlorophenyl)-4-methyloxolan-2-one
PubChem CID10846157
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name(4R,5S)-5-(4-chlorophenyl)-4-methyloxolan-2-one
SMILESC[C@@H]1CC(=O)O[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO2/c1-7-6-10(13)14-11(7)8-2-4-9(12)5-3-8/h2-5,7,11H,6H2,1H3/t7-,11+/m1/s1
InChIKeyQPJCPDRHKDSBAY-HQJQHLMTSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(4-chlorophenyl)-4-methyloxolan-2-one?
The IUPAC name of (4R,5S)-5-(4-chlorophenyl)-4-methyloxolan-2-one (CID 10846157) is (4R,5S)-5-(4-chlorophenyl)-4-methyloxolan-2-one.
What is the SMILES notation for (4R,5S)-5-(4-chlorophenyl)-4-methyloxolan-2-one?
The canonical SMILES for (4R,5S)-5-(4-chlorophenyl)-4-methyloxolan-2-one is C[C@@H]1CC(=O)O[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (4R,5S)-5-(4-chlorophenyl)-4-methyloxolan-2-one?
The InChIKey is QPJCPDRHKDSBAY-HQJQHLMTSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-7-6-10(13)14-11(7)8-2-4-9(12)5-3-8/h2-5,7,11H,6H2,1H3/t7-,11+/m1/s1.
What are the key properties of (4R,5S)-5-(4-chlorophenyl)-4-methyloxolan-2-one?
(4R,5S)-5-(4-chlorophenyl)-4-methyloxolan-2-one has a molecular weight of 210.66 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(4-chlorophenyl)-4-methyloxolan-2-one is sourced from PubChem (CID 10846157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).