Basic information
- Standard SMILES
COc1ccc(C(C)(C)CC#N)cc1- InChIKey
WJALFCYSVLVCMV-UHFFFAOYSA-N- Molecular formula
- C12H15NO
- Average molar mass
- 189.25 g/mol
- Monoisotopic mass
- 189.1153641
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenyl)-3-methylbutyronitrile
- IUPAC
- 3-(4-methoxyphenyl)-3-methylbutanenitrile
Names & synonyms
SCHEMBL7583086WJALFCYSVLVCMV-UHFFFAOYSA-N3-(4-Methoxyphenyl)-3-methylbutyronitrile
Database identifiers
- PubChem CID
- 19066479
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Related reactions
3 records
Compound notes
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