Basic information
- Standard SMILES
N#CC(c1ccccc1)C1(O)CCOCC1- InChIKey
LGZLTHRJVZDFRY-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
Names & identifiers
- Preferred name
- (4-hydroxytetrahydro-2H-pyran-4-yl)(phenyl)acetonitrile
- IUPAC
- 2-(4-hydroxyoxan-4-yl)-2-phenylacetonitrile
Names & synonyms
1226997-50-7SCHEMBL2406063LGZLTHRJVZDFRY-UHFFFAOYSA-NDA-14067(4-hydroxytetrahydro-2H-pyran-4-yl)(phenyl)acetonitrile
Database identifiers
- PubChem CID
- 58415919
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Related reactions
6 records
Compound notes
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