1-(3-methyl-1-benzofuran-2-yl)ethanone

C11H10O2 — CID 2507689

IUPAC1-(3-methyl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C11H10O2/c1-7-9-5-3-4-6-10(9)13-11(7)8(2)12/h3-6H,1-2H3
InChIKeyMTNZPWYMBRSDTL-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.94
Rot. Bonds1

About 1-(3-methyl-1-benzofuran-2-yl)ethanone

1-(3-methyl-1-benzofuran-2-yl)ethanone (PubChem CID 2507689) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-(3-methyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-1-benzofuran-2-yl)ethanone
PubChem CID2507689
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name1-(3-methyl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C11H10O2/c1-7-9-5-3-4-6-10(9)13-11(7)8(2)12/h3-6H,1-2H3
InChIKeyMTNZPWYMBRSDTL-UHFFFAOYSA-N
XLogP2.94
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-methyl-1-benzofuran-2-yl)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-(3-methyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(3-methyl-1-benzofuran-2-yl)ethanone (CID 2507689) is 1-(3-methyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(3-methyl-1-benzofuran-2-yl)ethanone is CC(=O)c1oc2ccccc2c1C.
What is the InChIKey of 1-(3-methyl-1-benzofuran-2-yl)ethanone?
The InChIKey is MTNZPWYMBRSDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-7-9-5-3-4-6-10(9)13-11(7)8(2)12/h3-6H,1-2H3.
What are the key properties of 1-(3-methyl-1-benzofuran-2-yl)ethanone?
1-(3-methyl-1-benzofuran-2-yl)ethanone has a molecular weight of 174.20 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 2507689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).