2-(4-Chlorophenyl)-5,7-dihydroxy-4H-chromen-4-one
Basic information
- CAS
152969-69-2- Standard SMILES
O=c1cc(-c2ccc(Cl)cc2)oc2cc(O)cc(O)c12- InChIKey
WBVTVCBOVVJLDX-UHFFFAOYSA-N- Molecular formula
- C15H9ClO4
- Average molar mass
- 288.68 g/mol
- Monoisotopic mass
- 288.0189365
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-5,7-dihydroxy-4H-chromen-4-one
- IUPAC
- 2-(4-chlorophenyl)-5,7-dihydroxychromen-4-one
- English name
- 2-(4-chlorophenyl)-5,7-dihydroxy-4H-chromen-4-one
- Molecular formula
- C15H9ClO4
- Molecular weight
- 288.68
Names & synonyms
2-(4-Chlorophenyl)-5,7-dihydroxy-4H-chromen-4-one152969-69-2DTXSID30420494RefChem:252220DTXCID203713402-(4-chlorophenyl)-5,7-dihydroxychromen-4-oneCHEMBL264037SCHEMBL31899874'-chloro-5,7-dihydroxyflavone2-(4-Chlorophenyl)-5,7-dihydroxy-4H-1-benzopyran-4-oneWBVTVCBOVVJLDX-UHFFFAOYSA-NMB10555
Show more names
4H-1-Benzopyran-4-one, 2-(4-chlorophenyl)-5,7-dihydroxy-
DB-0639642-(4-chlorophenyl)-5,7-dihydroxy-chromen-4-one
Database identifiers
- CAS
152969-69-2- PubChem CID
- 5480906
- DTXSID
DTXSID30420494- ChEMBL
CHEMBL264037- Nikkaji
- J1.351.759B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 414
Physicochemical properties
- Melting point
- 263 · 263-265 °C
- Boiling point
- 511.3 · 511.3±50.0 °C(Predicted)
- Density
- 1.534 · 1.534±0.06 g/cm3(Predicted)
- pka
- 6.49 · 6.49±0.40(Predicted)
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Compound notes
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