1-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanone

C12H13ClO3 — CID 63557451

IUPAC1-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanone
SMILESO=C(COC1CCOC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClO3/c13-10-3-1-9(2-4-10)12(14)8-16-11-5-6-15-7-11/h1-4,11H,5-8H2
InChIKeyJSMIEBAGVGJCEH-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.33
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanone

1-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanone (PubChem CID 63557451) has the molecular formula C12H13ClO3 and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanone
PubChem CID63557451
Molecular FormulaC12H13ClO3
Molecular Weight240.69 g/mol
Exact Mass240.06
IUPAC Name1-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanone
SMILESO=C(COC1CCOC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClO3/c13-10-3-1-9(2-4-10)12(14)8-16-11-5-6-15-7-11/h1-4,11H,5-8H2
InChIKeyJSMIEBAGVGJCEH-UHFFFAOYSA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanone 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 1-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanone (CID 63557451) is 1-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanone is O=C(COC1CCOC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanone?
The InChIKey is JSMIEBAGVGJCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO3/c13-10-3-1-9(2-4-10)12(14)8-16-11-5-6-15-7-11/h1-4,11H,5-8H2.
What are the key properties of 1-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanone?
1-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanone has a molecular weight of 240.69 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanone is sourced from PubChem (CID 63557451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).