Basic information
- CAS
951908-89-7- Standard SMILES
CCc1ccccc1OCc1ccc(C#N)cc1- InChIKey
LLVBJCVCLMLRSG-UHFFFAOYSA-N- Molecular formula
- C16H15NO
- Average molar mass
- 237.3 g/mol
- Monoisotopic mass
- 237.1153641
Names & identifiers
- Preferred name
- 4-[(2-Ethylphenoxy)methyl]benzonitrile
- IUPAC
- 4-[(2-ethylphenoxy)methyl]benzonitrile
Names & synonyms
951908-89-74-[(2-ethylphenoxy)methyl]benzonitrileDTXSID301282177AKOS008911654Benzonitrile, 4-[(2-ethylphenoxy)methyl]-
Database identifiers
- CAS
951908-89-7- PubChem CID
- 22688366
- DTXSID
DTXSID301282177
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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