4-methoxy-3-methyl-3H-2-benzofuran-1-one

C10H10O3 — CID 585356

IUPAC4-methoxy-3-methyl-3H-2-benzofuran-1-one
SMILESCOc1cccc2c1C(C)OC2=O
InChIInChI=1S/C10H10O3/c1-6-9-7(10(11)13-6)4-3-5-8(9)12-2/h3-6H,1-2H3
InChIKeyJLKBTROACTZTPT-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.93
Rot. Bonds1

About 4-methoxy-3-methyl-3H-2-benzofuran-1-one

4-methoxy-3-methyl-3H-2-benzofuran-1-one (PubChem CID 585356) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-methoxy-3-methyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name4-methoxy-3-methyl-3H-2-benzofuran-1-one
PubChem CID585356
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name4-methoxy-3-methyl-3H-2-benzofuran-1-one
SMILESCOc1cccc2c1C(C)OC2=O
InChIInChI=1S/C10H10O3/c1-6-9-7(10(11)13-6)4-3-5-8(9)12-2/h3-6H,1-2H3
InChIKeyJLKBTROACTZTPT-UHFFFAOYSA-N
XLogP1.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-hydroxy-4-methoxy-3H-2-benzofuran-1-one
CID 135372257
3-(3-bromo-2,5-dimethoxyphenyl)-4-methoxy-3H-2-benzofuran-1-one
CID 134937764
3-(2,5-dimethoxy-3-methylphenyl)-4-methoxy-3H-2-benzofuran-1-one
CID 134937765
3-hydroxy-4-(2-methoxyphenyl)-3H-furo[3,4-c]pyridin-1-one
CID 155595313
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CID 13092015
4-methoxy-3-propan-2-yl-2,3-dihydroisoindol-1-one
CID 84734053
4-methoxy-3-propan-2-yl-2,3-dihydroinden-1-one
CID 82076967
1,3-dimethoxy-2-(2-methylcyclopentyl)benzene
CID 118593665
1,5-dimethoxyfluoren-9-one
CID 19594782
(3aS,5R,9bS)-6,9-dimethoxy-5-methyl-3,3a,5,9b-tetrahydrofuro[3,2-c]isochromen-2-one
CID 71578620
methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate
CID 22435586
(2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 95431927

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-3H-2-benzofuran-1-one?
The IUPAC name of 4-methoxy-3-methyl-3H-2-benzofuran-1-one (CID 585356) is 4-methoxy-3-methyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 4-methoxy-3-methyl-3H-2-benzofuran-1-one?
The canonical SMILES for 4-methoxy-3-methyl-3H-2-benzofuran-1-one is COc1cccc2c1C(C)OC2=O.
What is the InChIKey of 4-methoxy-3-methyl-3H-2-benzofuran-1-one?
The InChIKey is JLKBTROACTZTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-6-9-7(10(11)13-6)4-3-5-8(9)12-2/h3-6H,1-2H3.
What are the key properties of 4-methoxy-3-methyl-3H-2-benzofuran-1-one?
4-methoxy-3-methyl-3H-2-benzofuran-1-one has a molecular weight of 178.19 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 585356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).