Basic information
- CAS
897036-78-1- Standard SMILES
Cc1ccc(Oc2ccccc2C#N)c(O)c1- InChIKey
SOIUSZFLRKBKSP-UHFFFAOYSA-N- Molecular formula
- C14H11NO2
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.07897859
Names & identifiers
- Preferred name
- 2-(2-Hydroxy-4-methylphenoxy)benzonitrile
- IUPAC
- 2-(2-hydroxy-4-methylphenoxy)benzonitrile
Names & synonyms
2-(2-Hydroxy-4-methylphenoxy)benzonitrile897036-78-1SCHEMBL5143178DTXSID00730355SOIUSZFLRKBKSP-UHFFFAOYSA-N2-(2-hydroxy-4-methyl-phenoxy)-benzonitrile
Database identifiers
- CAS
897036-78-1- PubChem CID
- 58828404
- DTXSID
DTXSID00730355
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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