Basic information
- Standard SMILES
N#CC(CO)(CCc1ccccc1)c1ccc(Cl)cc1Cl- InChIKey
MRWJWEOOHDOJLW-UHFFFAOYSA-N- Molecular formula
- C17H15Cl2NO
- Average molar mass
- 320.2 g/mol
Names & identifiers
- Preferred name
- 2-Cyano-2-(2,4-dichlorophenyl)-4-phenyl butan-1-ol
- IUPAC
- 2-(2,4-dichlorophenyl)-2-(hydroxymethyl)-4-phenylbutanenitrile
Names & synonyms
SCHEMBL11479989MRWJWEOOHDOJLW-UHFFFAOYSA-N2-cyano-2-(2,4-dichlorophenyl)-4-phenyl butan-1-ol
Database identifiers
- PubChem CID
- 23339883
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 374
Related reactions
3 records
Compound notes
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