Basic information
- Standard SMILES
CCCCCCOc1ccc(C#N)cc1OC- InChIKey
MPKNIBJACXZILX-UHFFFAOYSA-N- Molecular formula
- C14H19NO2
- Average molar mass
- 233.31 g/mol
Names & identifiers
- Preferred name
- 4-Hexyloxy-3-methoxybenzonitrile
- IUPAC
- 4-hexoxy-3-methoxybenzonitrile
Names & synonyms
4-Hexyloxy-3-methoxybenzonitrileMFCD097124306-n-Hexyloxy-3-methoxybenzonitrile4-(HEXYLOXY)-3-METHOXYBENZONITRILE4-hexoxy-3-methoxybenzonitrileSCHEMBL79962174-hexoxy-3-methoxy-benzonitrileMPKNIBJACXZILX-UHFFFAOYSA-N4-n-Hexyloxy-3-methoxybenZonitrileAKOS005350960
Database identifiers
- PubChem CID
- 21705032
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Related reactions
2 records
Compound notes
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