5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one

C21H14O5 — CID 155754085

IUPAC5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one
SMILESO=c1cc(-c2cccc(-c3ccc(O)cc3)c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C21H14O5/c22-15-6-4-12(5-7-15)13-2-1-3-14(8-13)19-11-18(25)21-17(24)9-16(23)10-20(21)26-19/h1-11,22-24H
InChIKeyWVIHICYLTFQJLV-UHFFFAOYSA-N
MW346.34 g/mol
LogP4.24
Rot. Bonds2

About 5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one

5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one (PubChem CID 155754085) has the molecular formula C21H14O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is 5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one
PubChem CID155754085
Molecular FormulaC21H14O5
Molecular Weight346.34 g/mol
Exact Mass346.08
IUPAC Name5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one
SMILESO=c1cc(-c2cccc(-c3ccc(O)cc3)c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C21H14O5/c22-15-6-4-12(5-7-15)13-2-1-3-14(8-13)19-11-18(25)21-17(24)9-16(23)10-20(21)26-19/h1-11,22-24H
InChIKeyWVIHICYLTFQJLV-UHFFFAOYSA-N
XLogP4.24
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]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

5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 69450862
2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one
CID 5480905
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813
5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
CID 67363741
[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenyl]boronic acid
CID 71504390
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one
CID 25267158
5,7-dihydroxy-2-[4-[2-(3-nitrophenyl)ethynyl]phenyl]chromen-4-one
CID 25170687
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
5,7-dihydroxy-2-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)chromen-4-one
CID 172653209
5,7-dihydroxy-2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]chromen-4-one
CID 71314865

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one (CID 155754085) is 5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one is O=c1cc(-c2cccc(-c3ccc(O)cc3)c2)oc2cc(O)cc(O)c12.
What is the InChIKey of 5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one?
The InChIKey is WVIHICYLTFQJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O5/c22-15-6-4-12(5-7-15)13-2-1-3-14(8-13)19-11-18(25)21-17(24)9-16(23)10-20(21)26-19/h1-11,22-24H.
What are the key properties of 5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one?
5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one has a molecular weight of 346.34 g/mol, XLogP of 4.24, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one is sourced from PubChem (CID 155754085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).