3-[2-(2-methylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one

C17H14O3 — CID 127046240

IUPAC3-[2-(2-methylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
SMILESCc1ccccc1C(=O)CC1OC(=O)c2ccccc21
InChIInChI=1S/C17H14O3/c1-11-6-2-3-7-12(11)15(18)10-16-13-8-4-5-9-14(13)17(19)20-16/h2-9,16H,10H2,1H3
InChIKeyUHKCQNDDEYEATE-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.48
Rot. Bonds3

About 3-[2-(2-methylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one

3-[2-(2-methylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one (PubChem CID 127046240) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[2-(2-methylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[2-(2-methylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
PubChem CID127046240
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name3-[2-(2-methylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
SMILESCc1ccccc1C(=O)CC1OC(=O)c2ccccc21
InChIInChI=1S/C17H14O3/c1-11-6-2-3-7-12(11)15(18)10-16-13-8-4-5-9-14(13)17(19)20-16/h2-9,16H,10H2,1H3
InChIKeyUHKCQNDDEYEATE-UHFFFAOYSA-N
XLogP3.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2-(2-methylphenyl)-2-oxoethyl]-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-(2-methylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[2-(2-methylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one (CID 127046240) is 3-[2-(2-methylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[2-(2-methylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[2-(2-methylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one is Cc1ccccc1C(=O)CC1OC(=O)c2ccccc21.
What is the InChIKey of 3-[2-(2-methylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one?
The InChIKey is UHKCQNDDEYEATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-11-6-2-3-7-12(11)15(18)10-16-13-8-4-5-9-14(13)17(19)20-16/h2-9,16H,10H2,1H3.
What are the key properties of 3-[2-(2-methylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one?
3-[2-(2-methylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one has a molecular weight of 266.30 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 127046240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).