4-[(phenylmethylidene)amino]phenol

• ChemBase ID: 79287
• Molecular Formular: C13H11NO
• Molecular Mass: 197.23254
• Monoisotopic Mass: 197.08406398
• SMILES: N(=C\c1ccccc1)/c1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)/N=C/c1ccccc1
• InChI: InChI=1S/C13H11NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-10,15H
• InChIKey: BVTLIIQDQAUXOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(phenylmethylidene)amino]phenol
• IUPAC Traditional name: phenol, p-(benzylideneamino)-
• Synonyms: 4-[(phenylmethylene)amino]phenol

Database IDs

• MDL Number: MFCD00020154
• PubChem SID: 162044050
• PubChem CID: 11501

CALCULATED PROPERTIES

• Acid pKa: 8.7883215
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5418293
• LogD (pH = 7.4): 3.5266218
• Log P: 3.5439415
• Molar Refractivity: 63.3685 cm^3
• Polarizability: 23.089804 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true