5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one

C9H8O5 — CID 102295970

IUPAC5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one
SMILESCOc1c(O)cc2c(c1O)C(=O)OC2
InChIInChI=1S/C9H8O5/c1-13-8-5(10)2-4-3-14-9(12)6(4)7(8)11/h2,10-11H,3H2,1H3
InChIKeyOEQOYURKHBTFKQ-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.78
Rot. Bonds1

About 5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one

5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one (PubChem CID 102295970) has the molecular formula C9H8O5 and a molecular weight of 196.16 g/mol. Its IUPAC name is 5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one
PubChem CID102295970
Molecular FormulaC9H8O5
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one
SMILESCOc1c(O)cc2c(c1O)C(=O)OC2
InChIInChI=1S/C9H8O5/c1-13-8-5(10)2-4-3-14-9(12)6(4)7(8)11/h2,10-11H,3H2,1H3
InChIKeyOEQOYURKHBTFKQ-UHFFFAOYSA-N
XLogP0.78
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one with MolForge

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

Launch Full Analysis

Related Compounds

5,7-dihydroxy-6-methoxy-4-methyl-3H-2-benzofuran-1-one
CID 156582406
8-methoxy-5H-furo[3,4-f][2]benzofuran-1,3,7-trione
CID 23247475
5,7-dimethoxy-3H-2-benzofuran-1-one
CID 7314397
4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one
CID 142720681
5-ethenyl-7-methoxy-3H-2-benzofuran-1-one
CID 66643933
5-hydroxy-2,2-dimethyl-8H-furo[3,4-g]chromen-6-one
CID 636462
(9R,10S)-4,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,5,16-triol
CID 46832246
(3S,4S)-3,4,6,8-tetrahydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 132512649
2-(7-methoxy-1-oxo-3H-2-benzofuran-5-yl)acetaldehyde
CID 77231250
(3S)-5,7-dihydroxy-3-[(S)-hydroxy(phenyl)methyl]-6-methoxy-2,3-dihydrochromen-4-one
CID 26235904
5-[(Z)-4-hydroxy-3-methylbut-2-enoxy]-7-methoxy-6-methyl-3H-2-benzofuran-1-one
CID 139585080
4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one
CID 25058711

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one?
The IUPAC name of 5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one (CID 102295970) is 5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one?
The canonical SMILES for 5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one is COc1c(O)cc2c(c1O)C(=O)OC2.
What is the InChIKey of 5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one?
The InChIKey is OEQOYURKHBTFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O5/c1-13-8-5(10)2-4-3-14-9(12)6(4)7(8)11/h2,10-11H,3H2,1H3.
What are the key properties of 5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one?
5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one has a molecular weight of 196.16 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 102295970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).