Basic information
- Standard SMILES
COC=C(C#N)Oc1cc(Cl)c(OC)cc1C(C)C- InChIKey
HUZCAQONSPRHMU-UHFFFAOYSA-N- Molecular formula
- C14H16ClNO3
- Average molar mass
- 281.73 g/mol
- Monoisotopic mass
- 281.0818711
Names & identifiers
- Preferred name
- 2-(5-Chloro-2-isopropyl-4-methoxy-phenoxy)-3-methoxy-acrylonitrile
- IUPAC
- 2-(5-chloro-4-methoxy-2-propan-2-ylphenoxy)-3-methoxyprop-2-enenitrile
Names & synonyms
SCHEMBL1494047HUZCAQONSPRHMU-UHFFFAOYSA-N2-(5-chloro-2-isopropyl-4-methoxy-phenoxy)-3-methoxy-acrylonitrile
Database identifiers
- PubChem CID
- 67053422
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 361
Related reactions
4 records
Compound notes
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