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

C10H10O3 — CID 15483639

IUPAC3-methoxy-3-methyl-2-benzofuran-1-one
SMILESCOC1(C)OC(=O)c2ccccc21
InChIInChI=1S/C10H10O3/c1-10(12-2)8-6-4-3-5-7(8)9(11)13-10/h3-6H,1-2H3
InChIKeyXMFFLDGJAGGWEU-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.68
Rot. Bonds1

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

3-methoxy-3-methyl-2-benzofuran-1-one (PubChem CID 15483639) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-methoxy-3-methyl-2-benzofuran-1-one.

Molecular Properties

Compound Name3-methoxy-3-methyl-2-benzofuran-1-one
PubChem CID15483639
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name3-methoxy-3-methyl-2-benzofuran-1-one
SMILESCOC1(C)OC(=O)c2ccccc21
InChIInChI=1S/C10H10O3/c1-10(12-2)8-6-4-3-5-7(8)9(11)13-10/h3-6H,1-2H3
InChIKeyXMFFLDGJAGGWEU-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-2-benzofuran-1-one?
The IUPAC name of 3-methoxy-3-methyl-2-benzofuran-1-one (CID 15483639) is 3-methoxy-3-methyl-2-benzofuran-1-one.
What is the SMILES notation for 3-methoxy-3-methyl-2-benzofuran-1-one?
The canonical SMILES for 3-methoxy-3-methyl-2-benzofuran-1-one is COC1(C)OC(=O)c2ccccc21.
What is the InChIKey of 3-methoxy-3-methyl-2-benzofuran-1-one?
The InChIKey is XMFFLDGJAGGWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-10(12-2)8-6-4-3-5-7(8)9(11)13-10/h3-6H,1-2H3.
What are the key properties of 3-methoxy-3-methyl-2-benzofuran-1-one?
3-methoxy-3-methyl-2-benzofuran-1-one has a molecular weight of 178.19 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-2-benzofuran-1-one is sourced from PubChem (CID 15483639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).