6-[(4-Fluoro-phenyl)-ethyl]-4-hydroxy-6-isopropyl-5,6-dihydropyran-2-one
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Basic information
- Standard SMILES
CC(C)C1(CCc2ccc(F)cc2)CC(O)=CC(=O)O1- InChIKey
OIWVFJHMJROXTM-UHFFFAOYSA-N- Molecular formula
- C16H19FO3
- Average molar mass
- 278.32 g/mol
- Monoisotopic mass
- 278.13182263
Names & identifiers
- Preferred name
- 6-[(4-Fluoro-phenyl)-ethyl]-4-hydroxy-6-isopropyl-5,6-dihydropyran-2-one
- IUPAC
- 2-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-propan-2-yl-3H-pyran-6-one
Names & synonyms
SCHEMBL6297773OIWVFJHMJROXTM-UHFFFAOYSA-N6-[(4-fluoro-phenyl)-ethyl]-4-hydroxy-6-isopropyl-5,6-dihydropyran-2-one
Database identifiers
- PubChem CID
- 54677015
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 383
Related reactions
2 records
Compound notes
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