Basic information
- Standard SMILES
O=Cc1ccc(OCC(O)c2ccccc2F)cc1- InChIKey
JBTHBTSSMDDZEH-UHFFFAOYSA-N- Molecular formula
- C15H13FO3
- Average molar mass
- 260.26 g/mol
- Monoisotopic mass
- 260.08487243
Names & identifiers
- Preferred name
- 4-[2-(2-Fluorophenyl)-2-hydroxyethoxy]benzaldehyde
- IUPAC
- 4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde
Names & synonyms
SCHEMBL936428JBTHBTSSMDDZEH-UHFFFAOYSA-N4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde
Database identifiers
- PubChem CID
- 86645072
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 277
Related reactions
5 records
Compound notes
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