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

C15H10O8 — CID 5281672

IUPAC3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
SMILESO=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
InChIKeyIKMDFBPHZNJCSN-UHFFFAOYSA-N
MW318.24 g/mol
LogP1.69
Rot. Bonds1

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

3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one (PubChem CID 5281672) has the molecular formula C15H10O8 and a molecular weight of 318.24 g/mol. Its IUPAC name is 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
PubChem CID5281672
Molecular FormulaC15H10O8
Molecular Weight318.24 g/mol
Exact Mass318.04
IUPAC Name3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
SMILESO=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
InChIKeyIKMDFBPHZNJCSN-UHFFFAOYSA-N
XLogP1.69
TPSA151.59 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.24
LogP ≤ 51.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 87194553
actinium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 20670067
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium
CID 175525833
cobalt;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 174557156
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
bis(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one);manganese(2+);dihydrate
CID 53494945
sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride
CID 175300152
3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one
CID 10453329
3-hydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)benzenesulfonic acid
CID 101243369
4-(3,5,7-trihydroxy-4-oxochromen-2-yl)benzoic acid
CID 86205753
5,7-dihydroxy-3-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 171457615

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one?
The IUPAC name of 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one (CID 5281672) is 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one.
What is the SMILES notation for 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one?
The canonical SMILES for 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one is O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12.
What is the InChIKey of 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one?
The InChIKey is IKMDFBPHZNJCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H.
What are the key properties of 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one?
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one has a molecular weight of 318.24 g/mol, XLogP of 1.69, 1 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one is sourced from PubChem (CID 5281672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).