3-(4-Benzyloxyphenyl)-3-hydroxy-2-(2-fluorophenoxy)-2-methylpropionic acid ethyl ester
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Basic information
- Standard SMILES
CCOC(=O)C(C)(Oc1ccccc1F)C(O)c1ccc(OCc2ccccc2)cc1- InChIKey
DUQASOIPJKIMRM-UHFFFAOYSA-N- Molecular formula
- C25H25FO5
- Average molar mass
- 424.5 g/mol
Names & identifiers
- Preferred name
- 3-(4-Benzyloxyphenyl)-3-hydroxy-2-(2-fluorophenoxy)-2-methylpropionic acid ethyl ester
- IUPAC
- ethyl 2-(2-fluorophenoxy)-3-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoate
Names & synonyms
SCHEMBL3995821DUQASOIPJKIMRM-UHFFFAOYSA-N3-(4-Benzyloxyphenyl)-3-hydroxy-2-(2-fluorophenoxy)-2-methylpropionic acid ethyl ester
Database identifiers
- PubChem CID
- 57719074
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 544
Related reactions
2 records
Compound notes
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