3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one

C15H10O6 — CID 57368437

IUPAC3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SMILESO=c1c(O)c(-c2ccc(O)cc2)oc2c(O)cc(O)cc12
InChIInChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)14-13(20)12(19)10-5-9(17)6-11(18)15(10)21-14/h1-6,16-18,20H
InChIKeyLVSKAQPZWNMZKQ-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.28
Rot. Bonds1

About 3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one

3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one (PubChem CID 57368437) has the molecular formula C15H10O6 and a molecular weight of 286.24 g/mol. Its IUPAC name is 3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
PubChem CID57368437
Molecular FormulaC15H10O6
Molecular Weight286.24 g/mol
Exact Mass286.05
IUPAC Name3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SMILESO=c1c(O)c(-c2ccc(O)cc2)oc2c(O)cc(O)cc12
InChIInChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)14-13(20)12(19)10-5-9(17)6-11(18)15(10)21-14/h1-6,16-18,20H
InChIKeyLVSKAQPZWNMZKQ-UHFFFAOYSA-N
XLogP2.28
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3,6,8-trihydroxy-2-(4-hydroxyphenyl)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

Related Compounds

3,7,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;hydrate
CID 121233655
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
6,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 59800838
3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane
CID 157253645
2-(3,4-dihydroxyphenyl)-6,8-difluoro-3-hydroxychromen-4-one
CID 18345210
3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 5393154
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(2-methylprop-1-enyl)chromen-4-one
CID 11645805
6,8-dihydroxy-2-(4-methoxyphenyl)-3-phenylmethoxychromen-4-one
CID 171935468
6,8-dichloro-2-(4-fluorophenyl)-3-hydroxychromen-4-one
CID 172725983
2,3,5,7-tetrahydroxyxanthen-9-one
CID 162847405
3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one
CID 10453329
8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 44575314

Frequently Asked Questions

What is the IUPAC name of 3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one?
The IUPAC name of 3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one (CID 57368437) is 3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one is O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)cc(O)cc12.
What is the InChIKey of 3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one?
The InChIKey is LVSKAQPZWNMZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)14-13(20)12(19)10-5-9(17)6-11(18)15(10)21-14/h1-6,16-18,20H.
What are the key properties of 3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one?
3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one has a molecular weight of 286.24 g/mol, XLogP of 2.28, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 57368437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).