6,7-dihydroxy-4-phenylchromen-2-one

C15H10O4 — CID 5320203

IUPAC6,7-dihydroxy-4-phenylchromen-2-one
SMILESO=c1cc(-c2ccccc2)c2cc(O)c(O)cc2o1
InChIInChI=1S/C15H10O4/c16-12-6-11-10(9-4-2-1-3-5-9)7-15(18)19-14(11)8-13(12)17/h1-8,16-17H
InChIKeyTZRNJQYCOSMOJS-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.87
Rot. Bonds1

About 6,7-dihydroxy-4-phenylchromen-2-one

6,7-dihydroxy-4-phenylchromen-2-one (PubChem CID 5320203) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 6,7-dihydroxy-4-phenylchromen-2-one.

Molecular Properties

Compound Name6,7-dihydroxy-4-phenylchromen-2-one
PubChem CID5320203
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name6,7-dihydroxy-4-phenylchromen-2-one
SMILESO=c1cc(-c2ccccc2)c2cc(O)c(O)cc2o1
InChIInChI=1S/C15H10O4/c16-12-6-11-10(9-4-2-1-3-5-9)7-15(18)19-14(11)8-13(12)17/h1-8,16-17H
InChIKeyTZRNJQYCOSMOJS-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': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

Catechin
CID 9064
Epicatechin
CID 72276
Luteolin
CID 5280445
Daphnetin
CID 5280569
4-Methylumbelliferone
CID 5280567
Scoparone
CID 8417
Scopoletin
CID 5280460
Esculetin
CID 5281416
Baicalein
CID 5281605
4-Methylesculetin
CID 5319502
Esculin
CID 5281417
Epigallocatechin
CID 72277

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroxy-4-phenylchromen-2-one?
The IUPAC name of 6,7-dihydroxy-4-phenylchromen-2-one (CID 5320203) is 6,7-dihydroxy-4-phenylchromen-2-one.
What is the SMILES notation for 6,7-dihydroxy-4-phenylchromen-2-one?
The canonical SMILES for 6,7-dihydroxy-4-phenylchromen-2-one is O=c1cc(-c2ccccc2)c2cc(O)c(O)cc2o1.
What is the InChIKey of 6,7-dihydroxy-4-phenylchromen-2-one?
The InChIKey is TZRNJQYCOSMOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c16-12-6-11-10(9-4-2-1-3-5-9)7-15(18)19-14(11)8-13(12)17/h1-8,16-17H.
What are the key properties of 6,7-dihydroxy-4-phenylchromen-2-one?
6,7-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 6,7-dihydroxy-4-phenylchromen-2-one is sourced from PubChem (CID 5320203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).