2-Methoxy-4-[(2-methylanilino)methylidene]cyclohexa-2,5-dien-1-one
Basic information
- CAS
59675-15-9- Standard SMILES
COc1cc(C=Nc2ccccc2C)ccc1O- InChIKey
WPGWTFJKCYVKPU-UHFFFAOYSA-N- Molecular formula
- C15H15NO2
- Average molar mass
- 241.28 g/mol
- Monoisotopic mass
- 241.11027872
Names & identifiers
- Preferred name
- 2-Methoxy-4-[(2-methylanilino)methylidene]cyclohexa-2,5-dien-1-one
- IUPAC
- 2-methoxy-4-[(2-methylphenyl)iminomethyl]phenol
Names & synonyms
ZINC0028071559675-15-92-methoxy-4-[(2-methylanilino)methylidene]cyclohexa-2,5-dien-1-oneSCHEMBL3412010DTXSID50425249SR-01000209715SR-01000209715-1
Database identifiers
- CAS
59675-15-9- PubChem CID
- 784707
- DTXSID
DTXSID50425249
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
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Compound notes
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