2-[N-(3,4-dimethylphenyl)carboximidoyl]phenol

• ChemBase ID: 112404
• Molecular Formular: C15H15NO
• Molecular Mass: 225.2857
• Monoisotopic Mass: 225.11536411
• SMILES: Cc1ccc(cc1C)/N=C/c1ccccc1O
• Canonical SMILES: Oc1ccccc1/C=N/c1ccc(c(c1)C)C
• InChI: InChI=1S/C15H15NO/c1-11-7-8-14(9-12(11)2)16-10-13-5-3-4-6-15(13)17/h3-10,17H,1-2H3
• InChIKey: UMZBCFICQFILIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[N-(3,4-dimethylphenyl)carboximidoyl]phenol
• IUPAC Traditional name: 2-[N-(3,4-dimethylphenyl)carboximidoyl]phenol
• Synonyms: SALICYLIDENE (3,4-DIMETHYLANIL)

Database IDs

• CAS Number: 33821-28-2
• PubChem SID: 162097671
• PubChem CID: 71299788

CALCULATED PROPERTIES

• Acid pKa: 8.833382
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.570182
• LogD (pH = 7.4): 4.5551605
• Log P: 4.570784
• Molar Refractivity: 73.4509 cm^3
• Polarizability: 26.624414 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05223766

MP Biomedicals Rare Chemical collection