5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

C15H10O7 — CID 5281701

IUPAC5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
SMILESO=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H
InChIKeyARSRJFRKVXALTF-UHFFFAOYSA-N
MW302.24 g/mol
LogP1.99
Rot. Bonds1

About 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one (PubChem CID 5281701) has the molecular formula C15H10O7 and a molecular weight of 302.24 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
PubChem CID5281701
Molecular FormulaC15H10O7
Molecular Weight302.24 g/mol
Exact Mass302.04
IUPAC Name5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
SMILESO=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H
InChIKeyARSRJFRKVXALTF-UHFFFAOYSA-N
XLogP1.99
TPSA131.36 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 51.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one (CID 5281701) is 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one is O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12.
What is the InChIKey of 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one?
The InChIKey is ARSRJFRKVXALTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H.
What are the key properties of 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one?
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one has a molecular weight of 302.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one is sourced from PubChem (CID 5281701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).