4-(N-benzyl-C-methylcarbonimidoyl)benzene-1,3-diol
Basic information
- CAS
82488-62-8- Standard SMILES
CC(=NCc1ccccc1)c1ccc(O)cc1O- InChIKey
UYOMBKBZFZFMRL-UHFFFAOYSA-N- Molecular formula
- C15H15NO2
- Average molar mass
- 241.28 g/mol
- Monoisotopic mass
- 241.11027872
Names & identifiers
- Preferred name
- 4-(N-benzyl-C-methylcarbonimidoyl)benzene-1,3-diol
- IUPAC
- 4-(N-benzyl-C-methylcarbonimidoyl)benzene-1,3-diol
Names & synonyms
MLS002919870NSC12625382488-62-8Oprea1_535587CHEMBL2355182NSC-126253SMR001797470
Database identifiers
- CAS
82488-62-8- PubChem CID
- 277396
- ChEMBL
CHEMBL2355182
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
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Compound notes
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