Basic information
- Standard SMILES
C=C(c1ccc(COc2ccc(C(C)=O)c(O)c2CCC)cc1)c1cccc(C#N)c1- InChIKey
JCIYXNWPGIGTLV-UHFFFAOYSA-N- Molecular formula
- C27H25NO3
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.18344366
Names & identifiers
- Preferred name
- 3-{1-[4-(4-Acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenyl]-vinyl}-benzonitrile
- IUPAC
- 3-[1-[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]ethenyl]benzonitrile
Names & synonyms
SCHEMBL481489JCIYXNWPGIGTLV-UHFFFAOYSA-N3-{1-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenyl]-vinyl}-benzonitrile
Database identifiers
- PubChem CID
- 66699657
Properties
Computed structural properties
- XLogP
- 7
- 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
- 657
Related reactions
11 records
Compound notes
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