7-methoxy-2,2-dimethyl-1-benzofuran-3-one

C11H12O3 — CID 14126647

IUPAC7-methoxy-2,2-dimethyl-1-benzofuran-3-one
SMILESCOc1cccc2c1OC(C)(C)C2=O
InChIInChI=1S/C11H12O3/c1-11(2)10(12)7-5-4-6-8(13-3)9(7)14-11/h4-6H,1-3H3
InChIKeyUSFFMYFDCWHCTE-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.05
Rot. Bonds1

About 7-methoxy-2,2-dimethyl-1-benzofuran-3-one

7-methoxy-2,2-dimethyl-1-benzofuran-3-one (PubChem CID 14126647) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 7-methoxy-2,2-dimethyl-1-benzofuran-3-one.

Molecular Properties

Compound Name7-methoxy-2,2-dimethyl-1-benzofuran-3-one
PubChem CID14126647
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name7-methoxy-2,2-dimethyl-1-benzofuran-3-one
SMILESCOc1cccc2c1OC(C)(C)C2=O
InChIInChI=1S/C11H12O3/c1-11(2)10(12)7-5-4-6-8(13-3)9(7)14-11/h4-6H,1-3H3
InChIKeyUSFFMYFDCWHCTE-UHFFFAOYSA-N
XLogP2.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-2,2-dimethyl-1-benzofuran-3-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 7-methoxy-2,2-dimethyl-1-benzofuran-3-one?
The IUPAC name of 7-methoxy-2,2-dimethyl-1-benzofuran-3-one (CID 14126647) is 7-methoxy-2,2-dimethyl-1-benzofuran-3-one.
What is the SMILES notation for 7-methoxy-2,2-dimethyl-1-benzofuran-3-one?
The canonical SMILES for 7-methoxy-2,2-dimethyl-1-benzofuran-3-one is COc1cccc2c1OC(C)(C)C2=O.
What is the InChIKey of 7-methoxy-2,2-dimethyl-1-benzofuran-3-one?
The InChIKey is USFFMYFDCWHCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-11(2)10(12)7-5-4-6-8(13-3)9(7)14-11/h4-6H,1-3H3.
What are the key properties of 7-methoxy-2,2-dimethyl-1-benzofuran-3-one?
7-methoxy-2,2-dimethyl-1-benzofuran-3-one has a molecular weight of 192.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2-dimethyl-1-benzofuran-3-one is sourced from PubChem (CID 14126647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).