4,6-dimethoxy-3H-2-benzofuran-1-one

C10H10O4 — CID 596895

IUPAC4,6-dimethoxy-3H-2-benzofuran-1-one
SMILESCOc1cc(OC)c2c(c1)C(=O)OC2
InChIInChI=1S/C10H10O4/c1-12-6-3-7-8(5-14-10(7)11)9(4-6)13-2/h3-4H,5H2,1-2H3
InChIKeyFJPMLTZXTKBVKX-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.37
Rot. Bonds2

About 4,6-dimethoxy-3H-2-benzofuran-1-one

4,6-dimethoxy-3H-2-benzofuran-1-one (PubChem CID 596895) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4,6-dimethoxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name4,6-dimethoxy-3H-2-benzofuran-1-one
PubChem CID596895
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name4,6-dimethoxy-3H-2-benzofuran-1-one
SMILESCOc1cc(OC)c2c(c1)C(=O)OC2
InChIInChI=1S/C10H10O4/c1-12-6-3-7-8(5-14-10(7)11)9(4-6)13-2/h3-4H,5H2,1-2H3
InChIKeyFJPMLTZXTKBVKX-UHFFFAOYSA-N
XLogP1.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-3H-2-benzofuran-1-one?
The IUPAC name of 4,6-dimethoxy-3H-2-benzofuran-1-one (CID 596895) is 4,6-dimethoxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 4,6-dimethoxy-3H-2-benzofuran-1-one?
The canonical SMILES for 4,6-dimethoxy-3H-2-benzofuran-1-one is COc1cc(OC)c2c(c1)C(=O)OC2.
What is the InChIKey of 4,6-dimethoxy-3H-2-benzofuran-1-one?
The InChIKey is FJPMLTZXTKBVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-12-6-3-7-8(5-14-10(7)11)9(4-6)13-2/h3-4H,5H2,1-2H3.
What are the key properties of 4,6-dimethoxy-3H-2-benzofuran-1-one?
4,6-dimethoxy-3H-2-benzofuran-1-one has a molecular weight of 194.19 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 596895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).