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

C15H12O2 — CID 2885051

IUPAC3-(4-methylphenyl)-3H-2-benzofuran-1-one
SMILESCc1ccc(C2OC(=O)c3ccccc32)cc1
InChIInChI=1S/C15H12O2/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15(16)17-14/h2-9,14H,1H3
InChIKeyFCWFNXMQIVEVLU-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.25
Rot. Bonds1

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

3-(4-methylphenyl)-3H-2-benzofuran-1-one (PubChem CID 2885051) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(4-methylphenyl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-3H-2-benzofuran-1-one
PubChem CID2885051
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name3-(4-methylphenyl)-3H-2-benzofuran-1-one
SMILESCc1ccc(C2OC(=O)c3ccccc32)cc1
InChIInChI=1S/C15H12O2/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15(16)17-14/h2-9,14H,1H3
InChIKeyFCWFNXMQIVEVLU-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-methylphenyl)-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-methylphenyl)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(4-methylphenyl)-3H-2-benzofuran-1-one (CID 2885051) is 3-(4-methylphenyl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(4-methylphenyl)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(4-methylphenyl)-3H-2-benzofuran-1-one is Cc1ccc(C2OC(=O)c3ccccc32)cc1.
What is the InChIKey of 3-(4-methylphenyl)-3H-2-benzofuran-1-one?
The InChIKey is FCWFNXMQIVEVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15(16)17-14/h2-9,14H,1H3.
What are the key properties of 3-(4-methylphenyl)-3H-2-benzofuran-1-one?
3-(4-methylphenyl)-3H-2-benzofuran-1-one has a molecular weight of 224.26 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 2885051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).