Basic information
- Standard SMILES
N#CCOc1ccc(C(=C2CCCCCC2)c2ccc(O)cc2)cc1- InChIKey
YWJICDGEDGTZPW-UHFFFAOYSA-N- Molecular formula
- C22H23NO2
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.17287898
Names & identifiers
- Preferred name
- ({4-[Cycloheptylidene(4-hydroxyphenyl)methyl]phenyl}oxy)acetonitrile
- IUPAC
- 2-[4-[cycloheptylidene-(4-hydroxyphenyl)methyl]phenoxy]acetonitrile
Names & synonyms
SCHEMBL3468860YWJICDGEDGTZPW-UHFFFAOYSA-N({4-[Cycloheptylidene(4-hydroxyphenyl)methyl]phenyl}oxy)acetonitrile
Database identifiers
- PubChem CID
- 11209805
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 477
Related reactions
4 records
Compound notes
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