6-methyl-3-methylidene-6,7-dihydro-5H-1-benzofuran-4-one

C10H12O2 — CID 10975818

IUPAC6-methyl-3-methylidene-6,7-dihydro-5H-1-benzofuran-4-one
SMILESC=C1COC2=C1C(=O)CC(C)C2
InChIInChI=1S/C10H12O2/c1-6-3-8(11)10-7(2)5-12-9(10)4-6/h6H,2-5H2,1H3
InChIKeyOLIMPXONMCFHNP-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.83
Rot. Bonds

About 6-methyl-3-methylidene-6,7-dihydro-5H-1-benzofuran-4-one

6-methyl-3-methylidene-6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 10975818) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 6-methyl-3-methylidene-6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

Compound Name6-methyl-3-methylidene-6,7-dihydro-5H-1-benzofuran-4-one
PubChem CID10975818
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name6-methyl-3-methylidene-6,7-dihydro-5H-1-benzofuran-4-one
SMILESC=C1COC2=C1C(=O)CC(C)C2
InChIInChI=1S/C10H12O2/c1-6-3-8(11)10-7(2)5-12-9(10)4-6/h6H,2-5H2,1H3
InChIKeyOLIMPXONMCFHNP-UHFFFAOYSA-N
XLogP1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methyl-3-methylidene-6,7-dihydro-5H-1-benzofuran-4-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 6-methyl-3-methylidene-6,7-dihydro-5H-1-benzofuran-4-one?
The IUPAC name of 6-methyl-3-methylidene-6,7-dihydro-5H-1-benzofuran-4-one (CID 10975818) is 6-methyl-3-methylidene-6,7-dihydro-5H-1-benzofuran-4-one.
What is the SMILES notation for 6-methyl-3-methylidene-6,7-dihydro-5H-1-benzofuran-4-one?
The canonical SMILES for 6-methyl-3-methylidene-6,7-dihydro-5H-1-benzofuran-4-one is C=C1COC2=C1C(=O)CC(C)C2.
What is the InChIKey of 6-methyl-3-methylidene-6,7-dihydro-5H-1-benzofuran-4-one?
The InChIKey is OLIMPXONMCFHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-6-3-8(11)10-7(2)5-12-9(10)4-6/h6H,2-5H2,1H3.
What are the key properties of 6-methyl-3-methylidene-6,7-dihydro-5H-1-benzofuran-4-one?
6-methyl-3-methylidene-6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 164.20 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-methylidene-6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 10975818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).