Basic information
- Standard SMILES
CCCc1c(OCCCC#N)ccc(C(C)=O)c1Cl- InChIKey
KUXAQGVGYDLMDF-UHFFFAOYSA-N- Molecular formula
- C15H18ClNO2
- Average molar mass
- 279.76 g/mol
Names & identifiers
- Preferred name
- 4-(2-Propyl-3-chloro-4-acetylphenoxy)butane nitrile
- IUPAC
- 4-(4-acetyl-3-chloro-2-propylphenoxy)butanenitrile
Names & synonyms
SCHEMBL10639747KUXAQGVGYDLMDF-UHFFFAOYSA-N4-(2-propyl-3- chloro-4-acetylphenoxy)butane nitrile
Database identifiers
- PubChem CID
- 21297263
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Related reactions
1 records
Compound notes
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