7-methoxy-1-benzofuran-3-one

C9H8O3 — CID 2818112

IUPAC7-methoxy-1-benzofuran-3-one
SMILESCOc1cccc2c1OCC2=O
InChIInChI=1S/C9H8O3/c1-11-8-4-2-3-6-7(10)5-12-9(6)8/h2-4H,5H2,1H3
InChIKeyQSJBSTJSAZCHSA-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.27
Rot. Bonds1

About 7-methoxy-1-benzofuran-3-one

7-methoxy-1-benzofuran-3-one (PubChem CID 2818112) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 7-methoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name7-methoxy-1-benzofuran-3-one
PubChem CID2818112
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name7-methoxy-1-benzofuran-3-one
SMILESCOc1cccc2c1OCC2=O
InChIInChI=1S/C9H8O3/c1-11-8-4-2-3-6-7(10)5-12-9(6)8/h2-4H,5H2,1H3
InChIKeyQSJBSTJSAZCHSA-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-benzofuran-3-one?
The IUPAC name of 7-methoxy-1-benzofuran-3-one (CID 2818112) is 7-methoxy-1-benzofuran-3-one.
What is the SMILES notation for 7-methoxy-1-benzofuran-3-one?
The canonical SMILES for 7-methoxy-1-benzofuran-3-one is COc1cccc2c1OCC2=O.
What is the InChIKey of 7-methoxy-1-benzofuran-3-one?
The InChIKey is QSJBSTJSAZCHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c1-11-8-4-2-3-6-7(10)5-12-9(6)8/h2-4H,5H2,1H3.
What are the key properties of 7-methoxy-1-benzofuran-3-one?
7-methoxy-1-benzofuran-3-one has a molecular weight of 164.16 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-benzofuran-3-one is sourced from PubChem (CID 2818112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).