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

C10H10O3 — CID 13400306

IUPAC2-methoxy-2-methyl-1-benzofuran-3-one
SMILESCOC1(C)Oc2ccccc2C1=O
InChIInChI=1S/C10H10O3/c1-10(12-2)9(11)7-5-3-4-6-8(7)13-10/h3-6H,1-2H3
InChIKeyGUDAFDIMIYVJNN-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.62
Rot. Bonds1

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

2-methoxy-2-methyl-1-benzofuran-3-one (PubChem CID 13400306) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-benzofuran-3-one.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-benzofuran-3-one
PubChem CID13400306
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name2-methoxy-2-methyl-1-benzofuran-3-one
SMILESCOC1(C)Oc2ccccc2C1=O
InChIInChI=1S/C10H10O3/c1-10(12-2)9(11)7-5-3-4-6-8(7)13-10/h3-6H,1-2H3
InChIKeyGUDAFDIMIYVJNN-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-3-methyl-2-benzofuran-1-one
CID 15483639
3-methyl-3-sulfanyl-2H-chromen-4-one
CID 174301602
(2R)-2-(dimethylamino)-2-phenyl-1-benzofuran-3-one
CID 139129040
2,2-bis(trifluoromethyl)-1-benzofuran-3-one
CID 13384251
(3-chloro-2-methyl-4-oxo-2-phenylchromen-3-yl) thiohypochlorite
CID 15189154
(2R)-2-(dimethoxymethyl)-2-methyl-3H-chromen-4-one
CID 124578802
1-(2-methoxy-2-methylchromen-3-yl)ethanone
CID 102125757
2,2-dimethyl-3H-chromen-4-one;ethane
CID 90690524
3-(iodomethyl)-3-methyl-2H-chromen-4-one
CID 10590440
3-bromo-4-oxo-2,3-diphenylchromen-2-olate
CID 134840633
3-chloro-2,2-dimethyl-3H-chromen-4-one
CID 12531632
2,2-dimethyloxireno[2,3-c]chromene
CID 140974903

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-benzofuran-3-one?
The IUPAC name of 2-methoxy-2-methyl-1-benzofuran-3-one (CID 13400306) is 2-methoxy-2-methyl-1-benzofuran-3-one.
What is the SMILES notation for 2-methoxy-2-methyl-1-benzofuran-3-one?
The canonical SMILES for 2-methoxy-2-methyl-1-benzofuran-3-one is COC1(C)Oc2ccccc2C1=O.
What is the InChIKey of 2-methoxy-2-methyl-1-benzofuran-3-one?
The InChIKey is GUDAFDIMIYVJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-10(12-2)9(11)7-5-3-4-6-8(7)13-10/h3-6H,1-2H3.
What are the key properties of 2-methoxy-2-methyl-1-benzofuran-3-one?
2-methoxy-2-methyl-1-benzofuran-3-one has a molecular weight of 178.19 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-1-benzofuran-3-one is sourced from PubChem (CID 13400306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).