Basic information
- Standard SMILES
N#CC1(C(O)COCc2ccccc2)CCCCC1- InChIKey
LQXNUSCPZTUEPK-UHFFFAOYSA-N- Molecular formula
- C16H21NO2
- Average molar mass
- 259.34 g/mol
- Monoisotopic mass
- 259.15722891
Names & identifiers
- Preferred name
- 1-(2-Benzyloxy-1-hydroxy-ethyl)-cyclohexanecarbonitrile
- IUPAC
- 1-(1-hydroxy-2-phenylmethoxyethyl)cyclohexane-1-carbonitrile
Names & synonyms
SCHEMBL6353194LQXNUSCPZTUEPK-UHFFFAOYSA-N1-(2-Benzyloxy-1-hydroxy-ethyl)-cyclohexanecarbonitrile
Database identifiers
- PubChem CID
- 18388337
- Nikkaji
- J1.168.495E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
Related reactions
2 records
Compound notes
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