4-methyl-2-(2-phenyldiazen-1-yl)phenol

• ChemBase ID: 110197
• Molecular Formular: C13H12N2O
• Molecular Mass: 212.24718
• Monoisotopic Mass: 212.09496301
• SMILES: Cc1ccc(O)c(c1)/N=N/c1ccccc1
• Canonical SMILES: Cc1ccc(c(c1)/N=N/c1ccccc1)O
• InChI: InChI=1S/C13H12N2O/c1-10-7-8-13(16)12(9-10)15-14-11-5-3-2-4-6-11/h2-9,16H,1H3
• InChIKey: NJOXSODFMZIZJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(2-phenyldiazen-1-yl)phenol
• IUPAC Traditional name: 4-methyl-2-(phenylazo)phenol
• Synonyms: 2-PHENYLAZO-p-CRESOL

Database IDs

• PubChem SID: 162106343
• PubChem CID: 5359530

CALCULATED PROPERTIES

• Acid pKa: 12.382748
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.5889945
• LogD (pH = 7.4): 4.588991
• Log P: 4.5889955
• Molar Refractivity: 67.3991 cm^3
• Polarizability: 23.93691 Å^3
• Polar Surface Area: 44.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05214083

MP Biomedicals Rare Chemical collection