2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one

C15H10O7 — CID 131834556

IUPAC2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one
SMILESO=c1cc(-c2cc(O)cc(O)c2)oc2cc(O)c(O)c(O)c12
InChIInChI=1S/C15H10O7/c16-7-1-6(2-8(17)3-7)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H
InChIKeyFJERVZITYGKWIW-UHFFFAOYSA-N
MW302.24 g/mol
LogP1.99
Rot. Bonds1

About 2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one

2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one (PubChem CID 131834556) has the molecular formula C15H10O7 and a molecular weight of 302.24 g/mol. Its IUPAC name is 2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one.

Molecular Properties

Compound Name2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one
PubChem CID131834556
Molecular FormulaC15H10O7
Molecular Weight302.24 g/mol
Exact Mass302.04
IUPAC Name2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one
SMILESO=c1cc(-c2cc(O)cc(O)c2)oc2cc(O)c(O)c(O)c12
InChIInChI=1S/C15H10O7/c16-7-1-6(2-8(17)3-7)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H
InChIKeyFJERVZITYGKWIW-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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Related Compounds

2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one
CID 11426691
formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)
CID 175123321
sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174885991
5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 15838821
diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174845080
5,7-dihydroxy-6-(hydroxymethyl)-2-phenylchromen-4-one;5,7-dihydroxy-2-phenylchromen-4-one;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 159238028
5-amino-2-(3,5-dihydroxyphenyl)chromen-4-one
CID 14885021
5,6,7-trihydroxy-2-(4-oxocyclohexa-1,5-dien-1-yl)chromen-4-one
CID 87586678
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methylchromen-4-one
CID 162817904
5,6-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one
CID 172994187
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
6-amino-5,7-dihydroxy-2-phenylchromen-4-one
CID 11242643

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one?
The IUPAC name of 2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one (CID 131834556) is 2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one.
What is the SMILES notation for 2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one?
The canonical SMILES for 2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one is O=c1cc(-c2cc(O)cc(O)c2)oc2cc(O)c(O)c(O)c12.
What is the InChIKey of 2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one?
The InChIKey is FJERVZITYGKWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O7/c16-7-1-6(2-8(17)3-7)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H.
What are the key properties of 2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one?
2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-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 2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one is sourced from PubChem (CID 131834556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).