Basic information
- CAS
3602-47-9- Standard SMILES
COc1ccc(C(=O)c2ccc(F)cc2)c(O)c1- InChIKey
HFSXVVWNCWOVJR-UHFFFAOYSA-N- Molecular formula
- C14H11FO3
- Average molar mass
- 246.23 g/mol
- Monoisotopic mass
- 246.06922237
Names & identifiers
- Preferred name
- 4'-Fluoro-2-hydroxy-4-methoxybenzophenone
- IUPAC
- (4-fluorophenyl)-(2-hydroxy-4-methoxyphenyl)methanone
- English name
- 4-Fluoro-2'-hydroxy-4'-methoxybenzophenone
- Molecular formula
- C14H11FO3
- Molecular weight
- 246.23
Names & synonyms
3602-47-94'-Fluoro-2-hydroxy-4-methoxybenzophenone(4-fluorophenyl)(2-hydroxy-4-methoxyphenyl)methanoneEINECS 222-756-24-FLUORO-2'-HYDROXY-4'-METHOXYBENZOPHENONE6PY4LF5XKJSCHEMBL3638432DTXSID101895924'-fluoro-2-hydroxy-4-methoxy-benzophenoneNS00046985Methanone, (4-fluorophenyl)(2-hydroxy-4-methoxyphenyl)-(4-Fluoro-phenyl)-(2-hydroxy-4-methoxy-phenyl)-methanone
Database identifiers
- CAS
3602-47-9- PubChem CID
- 77152
- DTXSID
DTXSID10189592- UNII
- 6PY4LF5XKJ
- EC Number
- 222-756-2
- Nikkaji
- J205.530I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 88 · 88–89°C
- FDA UNII
- 6 PY4LF5XKJ · 6PY4LF5XKJ
Chemistry & industry
Preparation methods
PreparationPreparation by reaction of p-fluorobenzoyl chloride with resorcinol dimethyl ether in the presence of aluminium chloride or titanium tetrachloride in refluxing hexane for 8 h.
Suppliers3 total
Related reactions
2 records
Compound notes
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