Basic information
- CAS
101492-21-1- Standard SMILES
CCOc1ccc([C@@]2(C(=O)OCc3cccc(Oc4ccccc4)c3)C[C@H]2F)cc1- InChIKey
YDNAIBWOCNTFLY-NOZRDPDXSA-N- Molecular formula
- C25H23FO4
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.15803737
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 1-(4-ethoxyphenyl)-2-fluoro-, (3-phenoxyphenyl)methyl ester, cis-
- IUPAC
- cis-(3-phenoxyphenyl)methyl (1R,2R)-1-(4-ethoxyphenyl)-2-fluorocyclopropane-1-carboxylate
Names & synonyms
Cyclopropanecarboxylic acid, 1-(4-ethoxyphenyl)-2-fluoro-, (3-phenoxyphenyl)methyl ester, cis-106687-17-6DTXSID00906255(3-phenoxyphenyl)methyl (1R,2R)-1-(4-ethoxyphenyl)-2-fluorocyclopropane-1-carboxylate(3-phenoxyphenyl)methyl 1-(4-ethoxyphenyl)-2-fluorocyclopropane-1-carboxylate101492-21-1
Database identifiers
- CAS
101492-21-1、106687-17-6- PubChem CID
- 180983
- DTXSID
DTXSID00906255
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 555
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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