2-[(E)-N-(4-methylphenyl)carboximidoyl]phenol

• ChemBase ID: 120432
• Molecular Formular: C14H13NO
• Molecular Mass: 211.25912
• Monoisotopic Mass: 211.09971404
• SMILES: N(=C\c1c(O)cccc1)/c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)/N=C/c1ccccc1O
• InChI: InChI=1S/C14H13NO/c1-11-6-8-13(9-7-11)15-10-12-4-2-3-5-14(12)16/h2-10,16H,1H3/b15-10+
• InChIKey: LXHFZWNBMULGIO-XNTDXEJSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(E)-N-(4-methylphenyl)carboximidoyl]phenol
• IUPAC Traditional name: 2-[(E)-N-(4-methylphenyl)carboximidoyl]phenol
• Synonyms: (E)-2-((p-tolylimino)methyl)phenol

Database IDs

• PubChem SID: 162214785
• PubChem CID: 5395747

CALCULATED PROPERTIES

• Acid pKa: 8.833408
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.0568213
• LogD (pH = 7.4): 4.041741
• Log P: 4.057363
• Molar Refractivity: 68.4097 cm^3
• Polarizability: 24.858168 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true