Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)-
Basic information
- CAS
108946-36-7- Standard SMILES
N#Cc1ccc(C(O)C#Cc2ccccc2)cc1- InChIKey
YCDARZSJNGZIOI-UHFFFAOYSA-N- Molecular formula
- C16H11NO
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.08406397
Names & identifiers
- Preferred name
- Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)-
- IUPAC
- 4-(1-hydroxy-3-phenylprop-2-ynyl)benzonitrile
Names & synonyms
Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)-108946-36-7DTXSID30346882RefChem:328048DTXCID602979544-(1-Hydroxy-3-phenyl-2-propynyl)benzonitrile4-(1-hydroxy-3-phenylprop-2-ynyl)benzonitrile4-(1-HYDROXY-3-PHENYLPROP-2-YN-1-YL)BENZONITRILESCHEMBL29288276YCDARZSJNGZIOI-UHFFFAOYSA-N4-(1-Hydroxy-3-phenyl-2-propynyl)benzonitrile #
Database identifiers
- CAS
108946-36-7- PubChem CID
- 616074
- DTXSID
DTXSID30346882- Nikkaji
- J1.594.294K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 366
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…