2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbutyl)chromen-4-one

C20H20O6 — CID 15541483

IUPAC2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbutyl)chromen-4-one
SMILESCC(C)CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3O)oc12
InChIInChI=1S/C20H20O6/c1-10(2)3-5-13-15(23)8-16(24)19-17(25)9-18(26-20(13)19)12-6-4-11(21)7-14(12)22/h4,6-10,21-24H,3,5H2,1-2H3
InChIKeyWBUGKOXHVKDEKK-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.87
Rot. Bonds4

About 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbutyl)chromen-4-one

2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbutyl)chromen-4-one (PubChem CID 15541483) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbutyl)chromen-4-one.

Molecular Properties

Compound Name2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbutyl)chromen-4-one
PubChem CID15541483
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbutyl)chromen-4-one
SMILESCC(C)CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3O)oc12
InChIInChI=1S/C20H20O6/c1-10(2)3-5-13-15(23)8-16(24)19-17(25)9-18(26-20(13)19)12-6-4-11(21)7-14(12)22/h4,6-10,21-24H,3,5H2,1-2H3
InChIKeyWBUGKOXHVKDEKK-UHFFFAOYSA-N
XLogP3.87
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbutyl)chromen-4-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-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbutyl)chromen-4-one?
The IUPAC name of 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbutyl)chromen-4-one (CID 15541483) is 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbutyl)chromen-4-one.
What is the SMILES notation for 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbutyl)chromen-4-one?
The canonical SMILES for 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbutyl)chromen-4-one is CC(C)CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3O)oc12.
What is the InChIKey of 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbutyl)chromen-4-one?
The InChIKey is WBUGKOXHVKDEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O6/c1-10(2)3-5-13-15(23)8-16(24)19-17(25)9-18(26-20(13)19)12-6-4-11(21)7-14(12)22/h4,6-10,21-24H,3,5H2,1-2H3.
What are the key properties of 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbutyl)chromen-4-one?
2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbutyl)chromen-4-one has a molecular weight of 356.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbutyl)chromen-4-one is sourced from PubChem (CID 15541483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).