Basic information
- Standard SMILES
CSc1ccc(C(=O)C(C)(C)OC(=O)Cc2ccc(F)cc2)cc1- InChIKey
UOFFLJLFYUJNFM-UHFFFAOYSA-N- Molecular formula
- C19H19FO3S
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.1038938
Names & identifiers
- Preferred name
- 2-(4-Fluorophenylacetoxy)-4'-(methylthio)isobutyrophenone
- IUPAC
- [2-methyl-1-(4-methylsulfanylphenyl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
Names & synonyms
SCHEMBL7624647UOFFLJLFYUJNFM-UHFFFAOYSA-N2-(4-Fluorophenylacetoxy)-4'-(methylthio)isobutyrophenone
Database identifiers
- PubChem CID
- 20658484
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 436
Related reactions
8 records
Compound notes
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