Basic information
- Standard SMILES
CCOC(=O)CCSCc1ccc(OCc2ccccc2F)cc1- InChIKey
NWUUSDIEYNKIOX-UHFFFAOYSA-N- Molecular formula
- C19H21FO3S
- Average molar mass
- 348.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-((4-(2-fluorobenzyloxy)phenyl)-methylthio)propionate
- IUPAC
- ethyl 3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylsulfanyl]propanoate
Names & synonyms
SCHEMBL2087088NWUUSDIEYNKIOX-UHFFFAOYSA-NEthyl 3-((4-(2-fluorobenzyloxy)phenyl)-methylthio)propionate
Database identifiers
- PubChem CID
- 21964542
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 359
Related reactions
32 records
Compound notes
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