5-methoxy-3H-2-benzofuran-1-one

C9H8O3 — CID 10535012

IUPAC5-methoxy-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1)COC2=O
InChIInChI=1S/C9H8O3/c1-11-7-2-3-8-6(4-7)5-12-9(8)10/h2-4H,5H2,1H3
InChIKeyKLMRELXLQGRFDO-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.37
Rot. Bonds1

About 5-methoxy-3H-2-benzofuran-1-one

5-methoxy-3H-2-benzofuran-1-one (PubChem CID 10535012) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 5-methoxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-methoxy-3H-2-benzofuran-1-one
PubChem CID10535012
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name5-methoxy-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1)COC2=O
InChIInChI=1S/C9H8O3/c1-11-7-2-3-8-6(4-7)5-12-9(8)10/h2-4H,5H2,1H3
InChIKeyKLMRELXLQGRFDO-UHFFFAOYSA-N
XLogP1.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-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 5-methoxy-3H-2-benzofuran-1-one?
The IUPAC name of 5-methoxy-3H-2-benzofuran-1-one (CID 10535012) is 5-methoxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-methoxy-3H-2-benzofuran-1-one?
The canonical SMILES for 5-methoxy-3H-2-benzofuran-1-one is COc1ccc2c(c1)COC2=O.
What is the InChIKey of 5-methoxy-3H-2-benzofuran-1-one?
The InChIKey is KLMRELXLQGRFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c1-11-7-2-3-8-6(4-7)5-12-9(8)10/h2-4H,5H2,1H3.
What are the key properties of 5-methoxy-3H-2-benzofuran-1-one?
5-methoxy-3H-2-benzofuran-1-one has a molecular weight of 164.16 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 10535012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).