5,6,7,8-tetrahydroxy-2-(2,3,4,5-tetrahydroxyphenyl)chromen-4-one

C15H10O10 — CID 57494717

IUPAC5,6,7,8-tetrahydroxy-2-(2,3,4,5-tetrahydroxyphenyl)chromen-4-one
SMILESO=c1cc(-c2cc(O)c(O)c(O)c2O)oc2c(O)c(O)c(O)c(O)c12
InChIInChI=1S/C15H10O10/c16-4-2-6(3-1-5(17)9(19)11(21)8(3)18)25-15-7(4)10(20)12(22)13(23)14(15)24/h1-2,17-24H
InChIKeyWGGUJYPQPMLINK-UHFFFAOYSA-N
MW350.24 g/mol
LogP1.10
Rot. Bonds1

About 5,6,7,8-tetrahydroxy-2-(2,3,4,5-tetrahydroxyphenyl)chromen-4-one

5,6,7,8-tetrahydroxy-2-(2,3,4,5-tetrahydroxyphenyl)chromen-4-one (PubChem CID 57494717) has the molecular formula C15H10O10 and a molecular weight of 350.24 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroxy-2-(2,3,4,5-tetrahydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydroxy-2-(2,3,4,5-tetrahydroxyphenyl)chromen-4-one
PubChem CID57494717
Molecular FormulaC15H10O10
Molecular Weight350.24 g/mol
Exact Mass350.03
IUPAC Name5,6,7,8-tetrahydroxy-2-(2,3,4,5-tetrahydroxyphenyl)chromen-4-one
SMILESO=c1cc(-c2cc(O)c(O)c(O)c2O)oc2c(O)c(O)c(O)c(O)c12
InChIInChI=1S/C15H10O10/c16-4-2-6(3-1-5(17)9(19)11(21)8(3)18)25-15-7(4)10(20)12(22)13(23)14(15)24/h1-2,17-24H
InChIKeyWGGUJYPQPMLINK-UHFFFAOYSA-N
XLogP1.10
TPSA192.05 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.24
LogP ≤ 51.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroxy-2-(2,3,4,5-tetrahydroxyphenyl)chromen-4-one?
The IUPAC name of 5,6,7,8-tetrahydroxy-2-(2,3,4,5-tetrahydroxyphenyl)chromen-4-one (CID 57494717) is 5,6,7,8-tetrahydroxy-2-(2,3,4,5-tetrahydroxyphenyl)chromen-4-one.
What is the SMILES notation for 5,6,7,8-tetrahydroxy-2-(2,3,4,5-tetrahydroxyphenyl)chromen-4-one?
The canonical SMILES for 5,6,7,8-tetrahydroxy-2-(2,3,4,5-tetrahydroxyphenyl)chromen-4-one is O=c1cc(-c2cc(O)c(O)c(O)c2O)oc2c(O)c(O)c(O)c(O)c12.
What is the InChIKey of 5,6,7,8-tetrahydroxy-2-(2,3,4,5-tetrahydroxyphenyl)chromen-4-one?
The InChIKey is WGGUJYPQPMLINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O10/c16-4-2-6(3-1-5(17)9(19)11(21)8(3)18)25-15-7(4)10(20)12(22)13(23)14(15)24/h1-2,17-24H.
What are the key properties of 5,6,7,8-tetrahydroxy-2-(2,3,4,5-tetrahydroxyphenyl)chromen-4-one?
5,6,7,8-tetrahydroxy-2-(2,3,4,5-tetrahydroxyphenyl)chromen-4-one has a molecular weight of 350.24 g/mol, XLogP of 1.10, 1 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroxy-2-(2,3,4,5-tetrahydroxyphenyl)chromen-4-one is sourced from PubChem (CID 57494717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).