5,7-Difluoro-2-phenylquinolin-4-ol
Basic information
- CAS
220598-55-0- Standard SMILES
O=c1cc(-c2ccccc2)[nH]c2cc(F)cc(F)c12- InChIKey
MCRQMTJKYFYOOH-UHFFFAOYSA-N- Molecular formula
- C15H9F2NO
- Average molar mass
- 257.23 g/mol
- Monoisotopic mass
- 257.06522023
Names & identifiers
- Preferred name
- 5,7-Difluoro-2-phenylquinolin-4-ol
- IUPAC
- 5,7-difluoro-2-phenyl-1H-quinolin-4-one
- English name
- 5,7-Difluoro-4-hydroxy-2-phenylquinoline
- Molecular formula
- C15H9F2NO
- Molecular weight
- 257.23
Names & synonyms
5,7-difluoro-2-phenylquinolin-4-ol220598-55-0NSC656245CHEMBL2005409DTXSID90327435NSC-656245NCI60_0194615,7-Difluoro-2-phenylquinolin-4(1H)-one5,7-Difluoro-4-hydroxy-2-phenylquinoline4(1H)-Quinolinone, 5,7-difluoro-2-phenyl-5,7-difluoro-2-phenyl-1~{H}-quinolin-4-one
Database identifiers
- CAS
220598-55-0- PubChem CID
- 375908
- DTXSID
DTXSID90327435- ChEMBL
CHEMBL2005409
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Boiling point
- 379.2 · 379.2±42.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- pka
- -0.12 · -0.12±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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