6-methoxy-1-benzofuran-3-one

C9H8O3 — CID 585368

IUPAC6-methoxy-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)OCC2=O
InChIInChI=1S/C9H8O3/c1-11-6-2-3-7-8(10)5-12-9(7)4-6/h2-4H,5H2,1H3
InChIKeyBLLMRPOVMOPQKC-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.27
Rot. Bonds1

About 6-methoxy-1-benzofuran-3-one

6-methoxy-1-benzofuran-3-one (PubChem CID 585368) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 6-methoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name6-methoxy-1-benzofuran-3-one
PubChem CID585368
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name6-methoxy-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)OCC2=O
InChIInChI=1S/C9H8O3/c1-11-6-2-3-7-8(10)5-12-9(7)4-6/h2-4H,5H2,1H3
InChIKeyBLLMRPOVMOPQKC-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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Related Compounds

6-methoxy-5-(4-methoxyphenyl)-1-benzofuran-3-one
CID 141411812
8-methoxy-2,3-dihydro-1,4-benzodioxepin-5-one
CID 102049944
(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 40595579
7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one
CID 162417326
6-(3-oxobutan-2-yloxy)-1-benzofuran-3-one
CID 62033452
(3-oxo-1-benzofuran-6-yl) 3,4-dimethoxybenzoate
CID 732048
6-(3,3-dimethylbutoxy)-1-benzofuran-3-one
CID 55025234
6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one
CID 82507298
6-(2-propoxyethoxy)-1-benzofuran-3-one
CID 106452922
(3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
CID 6444482
6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one
CID 63097467
N,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
CID 63094838

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-benzofuran-3-one?
The IUPAC name of 6-methoxy-1-benzofuran-3-one (CID 585368) is 6-methoxy-1-benzofuran-3-one.
What is the SMILES notation for 6-methoxy-1-benzofuran-3-one?
The canonical SMILES for 6-methoxy-1-benzofuran-3-one is COc1ccc2c(c1)OCC2=O.
What is the InChIKey of 6-methoxy-1-benzofuran-3-one?
The InChIKey is BLLMRPOVMOPQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c1-11-6-2-3-7-8(10)5-12-9(7)4-6/h2-4H,5H2,1H3.
What are the key properties of 6-methoxy-1-benzofuran-3-one?
6-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 6-methoxy-1-benzofuran-3-one is sourced from PubChem (CID 585368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).