Basic information
- Standard SMILES
CCCc1c(OCc2ccc(C(C)c3cccc(C#N)c3)cc2)ccc(C(C)=O)c1O- InChIKey
BSYNUYZJAIOJLV-UHFFFAOYSA-N- Molecular formula
- C27H27NO3
- Average molar mass
- 413.5 g/mol
Names & identifiers
- Preferred name
- 3-{1-[4-(4-Acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenyl]-ethyl}-benzonitrile
- IUPAC
- 3-[1-[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]ethyl]benzonitrile
Names & synonyms
SCHEMBL481206BSYNUYZJAIOJLV-UHFFFAOYSA-N3-{1-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenyl]-ethyl}-benzonitrile
Database identifiers
- PubChem CID
- 66699573
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 617
Related reactions
8 records
Compound notes
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