5-(4-chlorobenzoyl)oxolan-2-one

C11H9ClO3 — CID 10263058

IUPAC5-(4-chlorobenzoyl)oxolan-2-one
SMILESO=C1CCC(C(=O)c2ccc(Cl)cc2)O1
InChIInChI=1S/C11H9ClO3/c12-8-3-1-7(2-4-8)11(14)9-5-6-10(13)15-9/h1-4,9H,5-6H2
InChIKeyCDPQSVKCSQJUTG-UHFFFAOYSA-N
MW224.64 g/mol
LogP2.23
Rot. Bonds2

About 5-(4-chlorobenzoyl)oxolan-2-one

5-(4-chlorobenzoyl)oxolan-2-one (PubChem CID 10263058) has the molecular formula C11H9ClO3 and a molecular weight of 224.64 g/mol. Its IUPAC name is 5-(4-chlorobenzoyl)oxolan-2-one.

Molecular Properties

Compound Name5-(4-chlorobenzoyl)oxolan-2-one
PubChem CID10263058
Molecular FormulaC11H9ClO3
Molecular Weight224.64 g/mol
Exact Mass224.02
IUPAC Name5-(4-chlorobenzoyl)oxolan-2-one
SMILESO=C1CCC(C(=O)c2ccc(Cl)cc2)O1
InChIInChI=1S/C11H9ClO3/c12-8-3-1-7(2-4-8)11(14)9-5-6-10(13)15-9/h1-4,9H,5-6H2
InChIKeyCDPQSVKCSQJUTG-UHFFFAOYSA-N
XLogP2.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorobenzoyl)oxolan-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 5-(4-chlorobenzoyl)oxolan-2-one?
The IUPAC name of 5-(4-chlorobenzoyl)oxolan-2-one (CID 10263058) is 5-(4-chlorobenzoyl)oxolan-2-one.
What is the SMILES notation for 5-(4-chlorobenzoyl)oxolan-2-one?
The canonical SMILES for 5-(4-chlorobenzoyl)oxolan-2-one is O=C1CCC(C(=O)c2ccc(Cl)cc2)O1.
What is the InChIKey of 5-(4-chlorobenzoyl)oxolan-2-one?
The InChIKey is CDPQSVKCSQJUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3/c12-8-3-1-7(2-4-8)11(14)9-5-6-10(13)15-9/h1-4,9H,5-6H2.
What are the key properties of 5-(4-chlorobenzoyl)oxolan-2-one?
5-(4-chlorobenzoyl)oxolan-2-one has a molecular weight of 224.64 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorobenzoyl)oxolan-2-one is sourced from PubChem (CID 10263058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).