5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one

C15H10O6 — CID 5281697

IUPAC5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SMILESO=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12
InChIInChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H
InChIKeyJVXZRQGOGOXCEC-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.28
Rot. Bonds1

About 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one

5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one (PubChem CID 5281697) has the molecular formula C15H10O6 and a molecular weight of 286.24 g/mol. Its IUPAC name is 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
PubChem CID5281697
Molecular FormulaC15H10O6
Molecular Weight286.24 g/mol
Exact Mass286.05
IUPAC Name5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SMILESO=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12
InChIInChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H
InChIKeyJVXZRQGOGOXCEC-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one?
The IUPAC name of 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one (CID 5281697) is 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one is O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12.
What is the InChIKey of 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one?
The InChIKey is JVXZRQGOGOXCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H.
What are the key properties of 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one?
5,6,7-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 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 5281697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).