Basic information
- Standard SMILES
CCOC(=O)CCc1cc(F)c(O)c(F)c1- InChIKey
IJAFUGGGBHSCAW-UHFFFAOYSA-N- Molecular formula
- C11H12F2O3
- Average molar mass
- 230.21 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-(3,5-difluoro-4-hydroxyphenyl)propanoate
- IUPAC
- ethyl 3-(3,5-difluoro-4-hydroxyphenyl)propanoate
Names & synonyms
ethyl 3-(3,5-difluoro-4-hydroxyphenyl)propanoate3-(3,5-difluoro-4-hydroxy-phenyl)-propionic acid ethyl ester1224104-11-3SCHEMBL2302006IJAFUGGGBHSCAW-UHFFFAOYSA-NEthyl 3,5-difluoro-4-hydroxybenzenepropanoateF97867ethyl 3-(4-hydroxy-3,5-difluorophenyl)propanoateA1-12090ethyl 3-(3,5-difluoro-4-hydroxyphenyl)-propanoateethyl 3-(4-hydroxy-3,5-difluoro phenyl)propanoate3-(3,5-Difluoro-4-hydroxyphenyl)-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 23136305
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Related reactions
59 records
Compound notes
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