Basic information
- Standard SMILES
CCCc1c(OCc2ccc(C(F)c3cccc(C#N)c3)cc2)ccc(C(C)=O)c1O- InChIKey
IGHCSCSUIVMONQ-UHFFFAOYSA-N- Molecular formula
- C26H24FNO3
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.17402179
Names & identifiers
- Preferred name
- 3-{[4-(4-Acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenyl]-fluoro-methyl}-benzonitrile
- IUPAC
- 3-[[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]-fluoromethyl]benzonitrile
Names & synonyms
SCHEMBL481225IGHCSCSUIVMONQ-UHFFFAOYSA-N3-{[4-(4-acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenyl]-fluoro-methyl}-benzonitrile
Database identifiers
- PubChem CID
- 66699583
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 623
Related reactions
7 records
Compound notes
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