Basic information
- Standard SMILES
N#Cc1ccc(OC2CCCC(O)C2)cc1Cl- InChIKey
OYYDUUPJKJIAHO-UHFFFAOYSA-N- Molecular formula
- C13H14ClNO2
- Average molar mass
- 251.71 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-4-(3-hydroxy-cyclohexyloxy)-benzonitrile
- IUPAC
- 2-chloro-4-(3-hydroxycyclohexyl)oxybenzonitrile
Names & synonyms
SCHEMBL3190277OYYDUUPJKJIAHO-UHFFFAOYSA-N2-Chloro-4-(3-hydroxy-cyclohexyloxy)-benzonitrile
Database identifiers
- PubChem CID
- 46181549
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 301
Related reactions
2 records
Compound notes
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