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

C11H12O5 — CID 2818143

IUPAC3,4,6-trimethoxy-3H-2-benzofuran-1-one
SMILESCOc1cc(OC)c2c(c1)C(=O)OC2OC
InChIInChI=1S/C11H12O5/c1-13-6-4-7-9(8(5-6)14-2)11(15-3)16-10(7)12/h4-5,11H,1-3H3
InChIKeyJNVLFUCEKYADLU-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.52
Rot. Bonds3

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

3,4,6-trimethoxy-3H-2-benzofuran-1-one (PubChem CID 2818143) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 3,4,6-trimethoxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3,4,6-trimethoxy-3H-2-benzofuran-1-one
PubChem CID2818143
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name3,4,6-trimethoxy-3H-2-benzofuran-1-one
SMILESCOc1cc(OC)c2c(c1)C(=O)OC2OC
InChIInChI=1S/C11H12O5/c1-13-6-4-7-9(8(5-6)14-2)11(15-3)16-10(7)12/h4-5,11H,1-3H3
InChIKeyJNVLFUCEKYADLU-UHFFFAOYSA-N
XLogP1.52
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethoxy-3H-2-benzofuran-1-one?
The IUPAC name of 3,4,6-trimethoxy-3H-2-benzofuran-1-one (CID 2818143) is 3,4,6-trimethoxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 3,4,6-trimethoxy-3H-2-benzofuran-1-one?
The canonical SMILES for 3,4,6-trimethoxy-3H-2-benzofuran-1-one is COc1cc(OC)c2c(c1)C(=O)OC2OC.
What is the InChIKey of 3,4,6-trimethoxy-3H-2-benzofuran-1-one?
The InChIKey is JNVLFUCEKYADLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-13-6-4-7-9(8(5-6)14-2)11(15-3)16-10(7)12/h4-5,11H,1-3H3.
What are the key properties of 3,4,6-trimethoxy-3H-2-benzofuran-1-one?
3,4,6-trimethoxy-3H-2-benzofuran-1-one has a molecular weight of 224.21 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethoxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 2818143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).