Basic information
- Standard SMILES
COC(=O)/C=C/c1ccc(OCc2ccccc2)c(F)c1- InChIKey
YMKNLLDXXKWWTR-CSKARUKUSA-N- Molecular formula
- C17H15FO3
- Average molar mass
- 286.3 g/mol
Names & identifiers
- Preferred name
- (E)-3-(4-benzyloxy-3-fluoro-phenyl)-acrylic acid methyl ester
- IUPAC
- methyl (E)-3-(3-fluoro-4-phenylmethoxyphenyl)prop-2-enoate
Names & synonyms
SCHEMBL15669059YMKNLLDXXKWWTR-CSKARUKUSA-N(E)-3-(4-benzyloxy-3-fluoro-phenyl)-acrylic acid methyl ester
Database identifiers
- PubChem CID
- 90118296
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 350
Related reactions
2 records
Compound notes
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