5,6,7-trihydroxy-2-phenylchromen-4-one

C15H10O5 — CID 5281605

IUPAC5,6,7-trihydroxy-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12
InChIInChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
InChIKeyFXNFHKRTJBSTCS-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.58
Rot. Bonds1

About 5,6,7-trihydroxy-2-phenylchromen-4-one

5,6,7-trihydroxy-2-phenylchromen-4-one (PubChem CID 5281605) has the molecular formula C15H10O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 5,6,7-trihydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name5,6,7-trihydroxy-2-phenylchromen-4-one
PubChem CID5281605
Molecular FormulaC15H10O5
Molecular Weight270.24 g/mol
Exact Mass270.05
IUPAC Name5,6,7-trihydroxy-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12
InChIInChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
InChIKeyFXNFHKRTJBSTCS-UHFFFAOYSA-N
XLogP2.58
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 5,6,7-trihydroxy-2-phenylchromen-4-one?
The IUPAC name of 5,6,7-trihydroxy-2-phenylchromen-4-one (CID 5281605) is 5,6,7-trihydroxy-2-phenylchromen-4-one.
What is the SMILES notation for 5,6,7-trihydroxy-2-phenylchromen-4-one?
The canonical SMILES for 5,6,7-trihydroxy-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12.
What is the InChIKey of 5,6,7-trihydroxy-2-phenylchromen-4-one?
The InChIKey is FXNFHKRTJBSTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H.
What are the key properties of 5,6,7-trihydroxy-2-phenylchromen-4-one?
5,6,7-trihydroxy-2-phenylchromen-4-one has a molecular weight of 270.24 g/mol, XLogP of 2.58, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trihydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 5281605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).