3-(4-methylphenoxy)-3H-2-benzofuran-1-one

C15H12O3 — CID 10538000

IUPAC3-(4-methylphenoxy)-3H-2-benzofuran-1-one
SMILESCc1ccc(OC2OC(=O)c3ccccc32)cc1
InChIInChI=1S/C15H12O3/c1-10-6-8-11(9-7-10)17-15-13-5-3-2-4-12(13)14(16)18-15/h2-9,15H,1H3
InChIKeyMIGWFMQADOWYBI-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.24
Rot. Bonds2

About 3-(4-methylphenoxy)-3H-2-benzofuran-1-one

3-(4-methylphenoxy)-3H-2-benzofuran-1-one (PubChem CID 10538000) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(4-methylphenoxy)-3H-2-benzofuran-1-one
PubChem CID10538000
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name3-(4-methylphenoxy)-3H-2-benzofuran-1-one
SMILESCc1ccc(OC2OC(=O)c3ccccc32)cc1
InChIInChI=1S/C15H12O3/c1-10-6-8-11(9-7-10)17-15-13-5-3-2-4-12(13)14(16)18-15/h2-9,15H,1H3
InChIKeyMIGWFMQADOWYBI-UHFFFAOYSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylphenoxy)-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-(4-methylphenoxy)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(4-methylphenoxy)-3H-2-benzofuran-1-one (CID 10538000) is 3-(4-methylphenoxy)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(4-methylphenoxy)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(4-methylphenoxy)-3H-2-benzofuran-1-one is Cc1ccc(OC2OC(=O)c3ccccc32)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-3H-2-benzofuran-1-one?
The InChIKey is MIGWFMQADOWYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-10-6-8-11(9-7-10)17-15-13-5-3-2-4-12(13)14(16)18-15/h2-9,15H,1H3.
What are the key properties of 3-(4-methylphenoxy)-3H-2-benzofuran-1-one?
3-(4-methylphenoxy)-3H-2-benzofuran-1-one has a molecular weight of 240.26 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)-3H-2-benzofuran-1-one is sourced from PubChem (CID 10538000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).