6,7,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

C15H10O8 — CID 14825139

IUPAC6,7,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
SMILESO=c1cc(-c2cc(O)c(O)c(O)c2)oc2c(O)c(O)c(O)cc12
InChIInChI=1S/C15H10O8/c16-7-4-11(5-1-8(17)12(20)9(18)2-5)23-15-6(7)3-10(19)13(21)14(15)22/h1-4,17-22H
InChIKeyRDEPINGSTVBUFC-UHFFFAOYSA-N
MW318.24 g/mol
LogP1.69
Rot. Bonds1

About 6,7,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

6,7,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one (PubChem CID 14825139) has the molecular formula C15H10O8 and a molecular weight of 318.24 g/mol. Its IUPAC name is 6,7,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6,7,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
PubChem CID14825139
Molecular FormulaC15H10O8
Molecular Weight318.24 g/mol
Exact Mass318.04
IUPAC Name6,7,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
SMILESO=c1cc(-c2cc(O)c(O)c(O)c2)oc2c(O)c(O)c(O)cc12
InChIInChI=1S/C15H10O8/c16-7-4-11(5-1-8(17)12(20)9(18)2-5)23-15-6(7)3-10(19)13(21)14(15)22/h1-4,17-22H
InChIKeyRDEPINGSTVBUFC-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

6,7,8-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 16657777
6,7-dimethoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 71436763
7,8-dihydroxy-2-phenylchromen-4-one
CID 1880
6,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 59800838
bis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one
CID 175725603
5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 15838821
5,6,7,8-tetrahydroxy-2-(2,3,4,5-tetrahydroxyphenyl)chromen-4-one
CID 57494717
2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one
CID 131834556
2-[4-(dimethylamino)-3-fluorophenyl]-7,8-dihydroxychromen-4-one
CID 54760248
6,8-diamino-7-hydroxy-2-phenylchromen-4-one
CID 45116967
2-(2,3-dihydroxy-5-methylphenyl)-6,8-dihydroxychromen-4-one
CID 71665587
2-(2H-benzotriazol-5-yl)-7,8-dihydroxychromen-4-one
CID 135506549

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one?
The IUPAC name of 6,7,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one (CID 14825139) is 6,7,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one.
What is the SMILES notation for 6,7,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one?
The canonical SMILES for 6,7,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one is O=c1cc(-c2cc(O)c(O)c(O)c2)oc2c(O)c(O)c(O)cc12.
What is the InChIKey of 6,7,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one?
The InChIKey is RDEPINGSTVBUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O8/c16-7-4-11(5-1-8(17)12(20)9(18)2-5)23-15-6(7)3-10(19)13(21)14(15)22/h1-4,17-22H.
What are the key properties of 6,7,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one?
6,7,8-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 6,7,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one is sourced from PubChem (CID 14825139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).