5,7-dihydroxy-4-phenylchromen-2-one

C15H10O4 — CID 5398649

IUPAC5,7-dihydroxy-4-phenylchromen-2-one
SMILESO=c1cc(-c2ccccc2)c2c(O)cc(O)cc2o1
InChIInChI=1S/C15H10O4/c16-10-6-12(17)15-11(9-4-2-1-3-5-9)8-14(18)19-13(15)7-10/h1-8,16-17H
InChIKeyHUQKUJNSVHEHIH-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.87
Rot. Bonds1

About 5,7-dihydroxy-4-phenylchromen-2-one

5,7-dihydroxy-4-phenylchromen-2-one (PubChem CID 5398649) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 5,7-dihydroxy-4-phenylchromen-2-one.

Molecular Properties

Compound Name5,7-dihydroxy-4-phenylchromen-2-one
PubChem CID5398649
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name5,7-dihydroxy-4-phenylchromen-2-one
SMILESO=c1cc(-c2ccccc2)c2c(O)cc(O)cc2o1
InChIInChI=1S/C15H10O4/c16-10-6-12(17)15-11(9-4-2-1-3-5-9)8-14(18)19-13(15)7-10/h1-8,16-17H
InChIKeyHUQKUJNSVHEHIH-UHFFFAOYSA-N
XLogP2.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-4-phenylchromen-2-one?
The IUPAC name of 5,7-dihydroxy-4-phenylchromen-2-one (CID 5398649) is 5,7-dihydroxy-4-phenylchromen-2-one.
What is the SMILES notation for 5,7-dihydroxy-4-phenylchromen-2-one?
The canonical SMILES for 5,7-dihydroxy-4-phenylchromen-2-one is O=c1cc(-c2ccccc2)c2c(O)cc(O)cc2o1.
What is the InChIKey of 5,7-dihydroxy-4-phenylchromen-2-one?
The InChIKey is HUQKUJNSVHEHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c16-10-6-12(17)15-11(9-4-2-1-3-5-9)8-14(18)19-13(15)7-10/h1-8,16-17H.
What are the key properties of 5,7-dihydroxy-4-phenylchromen-2-one?
5,7-dihydroxy-4-phenylchromen-2-one has a molecular weight of 254.24 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-4-phenylchromen-2-one is sourced from PubChem (CID 5398649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).