5,6-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one

C15H10O5 — CID 172994187

IUPAC5,6-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one
SMILESO=c1cc(-c2cccc(O)c2)oc2ccc(O)c(O)c12
InChIInChI=1S/C15H10O5/c16-9-3-1-2-8(6-9)13-7-11(18)14-12(20-13)5-4-10(17)15(14)19/h1-7,16-17,19H
InChIKeyJPMLRMLVGQCQOV-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.58
Rot. Bonds1

About 5,6-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one

5,6-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one (PubChem CID 172994187) has the molecular formula C15H10O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 5,6-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5,6-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one
PubChem CID172994187
Molecular FormulaC15H10O5
Molecular Weight270.24 g/mol
Exact Mass270.05
IUPAC Name5,6-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one
SMILESO=c1cc(-c2cccc(O)c2)oc2ccc(O)c(O)c12
InChIInChI=1S/C15H10O5/c16-9-3-1-2-8(6-9)13-7-11(18)14-12(20-13)5-4-10(17)15(14)19/h1-7,16-17,19H
InChIKeyJPMLRMLVGQCQOV-UHFFFAOYSA-N
XLogP2.58
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 5,6-dihydroxy-2-(3-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

CID 172853606
CID 172853606
2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one
CID 131834556
9,14,15-trihydroxy-13-(hydroxymethyl)-5-(3-hydroxyphenyl)-4,12,17-trioxatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,5,8-tetraen-7-one
CID 77410199
sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174885991
formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)
CID 175123321
5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one
CID 155754085
2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one
CID 5480905
6-amino-5,7-dihydroxy-2-phenylchromen-4-one
CID 11242643
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
2-(3-hydroxyphenyl)furo[2,3-h]chromen-4-one
CID 11054992
5-amino-2-(3,5-dihydroxyphenyl)chromen-4-one
CID 14885021
2-(3,4-dihydroxyphenyl)-5-hydroxybenzo[g]chromen-4-one
CID 135053109

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one?
The IUPAC name of 5,6-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one (CID 172994187) is 5,6-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 5,6-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 5,6-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one is O=c1cc(-c2cccc(O)c2)oc2ccc(O)c(O)c12.
What is the InChIKey of 5,6-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one?
The InChIKey is JPMLRMLVGQCQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5/c16-9-3-1-2-8(6-9)13-7-11(18)14-12(20-13)5-4-10(17)15(14)19/h1-7,16-17,19H.
What are the key properties of 5,6-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one?
5,6-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one has a molecular weight of 270.24 g/mol, XLogP of 2.58, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 172994187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).