4-acetyl-5-(4-chlorophenyl)oxolan-2-one

C12H11ClO3 — CID 3068210

IUPAC4-acetyl-5-(4-chlorophenyl)oxolan-2-one
SMILESCC(=O)C1CC(=O)OC1c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClO3/c1-7(14)10-6-11(15)16-12(10)8-2-4-9(13)5-3-8/h2-5,10,12H,6H2,1H3
InChIKeyBVGNFJBMPNFDNU-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.53
Rot. Bonds2

About 4-acetyl-5-(4-chlorophenyl)oxolan-2-one

4-acetyl-5-(4-chlorophenyl)oxolan-2-one (PubChem CID 3068210) has the molecular formula C12H11ClO3 and a molecular weight of 238.67 g/mol. Its IUPAC name is 4-acetyl-5-(4-chlorophenyl)oxolan-2-one.

Molecular Properties

Compound Name4-acetyl-5-(4-chlorophenyl)oxolan-2-one
PubChem CID3068210
Molecular FormulaC12H11ClO3
Molecular Weight238.67 g/mol
Exact Mass238.04
IUPAC Name4-acetyl-5-(4-chlorophenyl)oxolan-2-one
SMILESCC(=O)C1CC(=O)OC1c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClO3/c1-7(14)10-6-11(15)16-12(10)8-2-4-9(13)5-3-8/h2-5,10,12H,6H2,1H3
InChIKeyBVGNFJBMPNFDNU-UHFFFAOYSA-N
XLogP2.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-(4-chlorophenyl)oxolan-2-one?
The IUPAC name of 4-acetyl-5-(4-chlorophenyl)oxolan-2-one (CID 3068210) is 4-acetyl-5-(4-chlorophenyl)oxolan-2-one.
What is the SMILES notation for 4-acetyl-5-(4-chlorophenyl)oxolan-2-one?
The canonical SMILES for 4-acetyl-5-(4-chlorophenyl)oxolan-2-one is CC(=O)C1CC(=O)OC1c1ccc(Cl)cc1.
What is the InChIKey of 4-acetyl-5-(4-chlorophenyl)oxolan-2-one?
The InChIKey is BVGNFJBMPNFDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO3/c1-7(14)10-6-11(15)16-12(10)8-2-4-9(13)5-3-8/h2-5,10,12H,6H2,1H3.
What are the key properties of 4-acetyl-5-(4-chlorophenyl)oxolan-2-one?
4-acetyl-5-(4-chlorophenyl)oxolan-2-one has a molecular weight of 238.67 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-(4-chlorophenyl)oxolan-2-one is sourced from PubChem (CID 3068210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).