4-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile
Basic information
- CAS
5226-92-6- Standard SMILES
COc1cccc(C=Nc2ccc(C#N)cc2)c1O- InChIKey
NLRSQJATJAWMAV-UHFFFAOYSA-N- Molecular formula
- C15H12N2O2
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.08987763
Names & identifiers
- Preferred name
- 4-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile
- IUPAC
- 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile
Names & synonyms
623150-92-54-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile5226-92-64-((2-Hydroxy-3-methoxybenzylidene)amino)benzonitrileAC1NSATR4-[(2-hydroxy-3-methoxybenzylidene)amino]benzonitrileMFCD00566816DTXSID20416240STK051084AKOS000486106BS-10567ST036495
Show more names
SR-01000199526SR-01000199526-14-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile4-{[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]amino}benzonitrile4-[(1E)-2-(2-hydroxy-3-methoxyphenyl)-1-azavinyl]benzenecarbonitrile4-{[(1E)-(2-Hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile; >90%4-{[(Z)-(5-Methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzonitrile
Database identifiers
- CAS
5226-92-6- PubChem CID
- 708111
- DTXSID
DTXSID20416240
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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