3-(2-chlorophenoxy)-3H-2-benzofuran-1-one

C14H9ClO3 — CID 10848954

IUPAC3-(2-chlorophenoxy)-3H-2-benzofuran-1-one
SMILESO=C1OC(Oc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C14H9ClO3/c15-11-7-3-4-8-12(11)17-14-10-6-2-1-5-9(10)13(16)18-14/h1-8,14H
InChIKeySUPKULIRBZXOIB-UHFFFAOYSA-N
MW260.68 g/mol
LogP3.59
Rot. Bonds2

About 3-(2-chlorophenoxy)-3H-2-benzofuran-1-one

3-(2-chlorophenoxy)-3H-2-benzofuran-1-one (PubChem CID 10848954) has the molecular formula C14H9ClO3 and a molecular weight of 260.68 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-3H-2-benzofuran-1-one
PubChem CID10848954
Molecular FormulaC14H9ClO3
Molecular Weight260.68 g/mol
Exact Mass260.02
IUPAC Name3-(2-chlorophenoxy)-3H-2-benzofuran-1-one
SMILESO=C1OC(Oc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C14H9ClO3/c15-11-7-3-4-8-12(11)17-14-10-6-2-1-5-9(10)13(16)18-14/h1-8,14H
InChIKeySUPKULIRBZXOIB-UHFFFAOYSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-chlorophenoxy)-3H-2-benzofuran-1-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 3-(2-chlorophenoxy)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(2-chlorophenoxy)-3H-2-benzofuran-1-one (CID 10848954) is 3-(2-chlorophenoxy)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(2-chlorophenoxy)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(2-chlorophenoxy)-3H-2-benzofuran-1-one is O=C1OC(Oc2ccccc2Cl)c2ccccc21.
What is the InChIKey of 3-(2-chlorophenoxy)-3H-2-benzofuran-1-one?
The InChIKey is SUPKULIRBZXOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO3/c15-11-7-3-4-8-12(11)17-14-10-6-2-1-5-9(10)13(16)18-14/h1-8,14H.
What are the key properties of 3-(2-chlorophenoxy)-3H-2-benzofuran-1-one?
3-(2-chlorophenoxy)-3H-2-benzofuran-1-one has a molecular weight of 260.68 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-3H-2-benzofuran-1-one is sourced from PubChem (CID 10848954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).