2,4-dihydroxy-2-(4-hydroxy-3-methoxybenzoyl)-6-methoxy-1-benzofuran-3-one

C17H14O8 — CID 102137967

IUPAC2,4-dihydroxy-2-(4-hydroxy-3-methoxybenzoyl)-6-methoxy-1-benzofuran-3-one
SMILESCOc1cc(O)c2c(c1)OC(O)(C(=O)c1ccc(O)c(OC)c1)C2=O
InChIInChI=1S/C17H14O8/c1-23-9-6-11(19)14-13(7-9)25-17(22,16(14)21)15(20)8-3-4-10(18)12(5-8)24-2/h3-7,18-19,22H,1-2H3
InChIKeyZAHNUQKDCNOUEK-UHFFFAOYSA-N
MW346.29 g/mol
LogP1.26
Rot. Bonds4

About 2,4-dihydroxy-2-(4-hydroxy-3-methoxybenzoyl)-6-methoxy-1-benzofuran-3-one

2,4-dihydroxy-2-(4-hydroxy-3-methoxybenzoyl)-6-methoxy-1-benzofuran-3-one (PubChem CID 102137967) has the molecular formula C17H14O8 and a molecular weight of 346.29 g/mol. Its IUPAC name is 2,4-dihydroxy-2-(4-hydroxy-3-methoxybenzoyl)-6-methoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name2,4-dihydroxy-2-(4-hydroxy-3-methoxybenzoyl)-6-methoxy-1-benzofuran-3-one
PubChem CID102137967
Molecular FormulaC17H14O8
Molecular Weight346.29 g/mol
Exact Mass346.07
IUPAC Name2,4-dihydroxy-2-(4-hydroxy-3-methoxybenzoyl)-6-methoxy-1-benzofuran-3-one
SMILESCOc1cc(O)c2c(c1)OC(O)(C(=O)c1ccc(O)c(OC)c1)C2=O
InChIInChI=1S/C17H14O8/c1-23-9-6-11(19)14-13(7-9)25-17(22,16(14)21)15(20)8-3-4-10(18)12(5-8)24-2/h3-7,18-19,22H,1-2H3
InChIKeyZAHNUQKDCNOUEK-UHFFFAOYSA-N
XLogP1.26
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2,4-dihydroxy-2-(4-hydroxy-3-methoxybenzoyl)-6-methoxy-1-benzofuran-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-2-(4-hydroxy-3-methoxybenzoyl)-6-methoxy-1-benzofuran-3-one?
The IUPAC name of 2,4-dihydroxy-2-(4-hydroxy-3-methoxybenzoyl)-6-methoxy-1-benzofuran-3-one (CID 102137967) is 2,4-dihydroxy-2-(4-hydroxy-3-methoxybenzoyl)-6-methoxy-1-benzofuran-3-one.
What is the SMILES notation for 2,4-dihydroxy-2-(4-hydroxy-3-methoxybenzoyl)-6-methoxy-1-benzofuran-3-one?
The canonical SMILES for 2,4-dihydroxy-2-(4-hydroxy-3-methoxybenzoyl)-6-methoxy-1-benzofuran-3-one is COc1cc(O)c2c(c1)OC(O)(C(=O)c1ccc(O)c(OC)c1)C2=O.
What is the InChIKey of 2,4-dihydroxy-2-(4-hydroxy-3-methoxybenzoyl)-6-methoxy-1-benzofuran-3-one?
The InChIKey is ZAHNUQKDCNOUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O8/c1-23-9-6-11(19)14-13(7-9)25-17(22,16(14)21)15(20)8-3-4-10(18)12(5-8)24-2/h3-7,18-19,22H,1-2H3.
What are the key properties of 2,4-dihydroxy-2-(4-hydroxy-3-methoxybenzoyl)-6-methoxy-1-benzofuran-3-one?
2,4-dihydroxy-2-(4-hydroxy-3-methoxybenzoyl)-6-methoxy-1-benzofuran-3-one has a molecular weight of 346.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-2-(4-hydroxy-3-methoxybenzoyl)-6-methoxy-1-benzofuran-3-one is sourced from PubChem (CID 102137967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).