Basic information
- Standard SMILES
N#CCC(O)c1cccc(OCC2CCCCCCC2)c1- InChIKey
YYTZNRAZCDNEQR-UHFFFAOYSA-N- Molecular formula
- C18H25NO2
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.18852904
Names & identifiers
- Preferred name
- 3-(3-(Cyclooctylmethoxy)phenyl)-3-hydroxypropanenitrile
- IUPAC
- 3-[3-(cyclooctylmethoxy)phenyl]-3-hydroxypropanenitrile
Names & synonyms
SCHEMBL2206293YYTZNRAZCDNEQR-UHFFFAOYSA-N3-(3-(cyclooctylmethoxy)phenyl)-3-hydroxypropanenitrile
Database identifiers
- PubChem CID
- 67316632
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 327
Related reactions
6 records
Compound notes
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