2-[2-(furan-2-yl)diazen-1-yl]-4-methylphenol

• ChemBase ID: 112759
• Molecular Formular: C11H10N2O2
• Molecular Mass: 202.2093
• Monoisotopic Mass: 202.07422757
• SMILES: Cc1ccc(O)c(c1)/N=N/c1ccco1
• Canonical SMILES: Cc1ccc(c(c1)/N=N/c1ccco1)O
• InChI: InChI=1S/C11H10N2O2/c1-8-4-5-10(14)9(7-8)12-13-11-3-2-6-15-11/h2-7,14H,1H3
• InChIKey: PMUOOCYMUMKFTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(furan-2-yl)diazen-1-yl]-4-methylphenol
• IUPAC Traditional name: 2-[2-(furan-2-yl)diazen-1-yl]-4-methylphenol
• Synonyms: 2,2-THIOZOLYLAZO-p-CRESOL

Database IDs

• CAS Number: 1823-44-5
• PubChem SID: 162097640
• PubChem CID: 71299786

CALCULATED PROPERTIES

• Acid pKa: 12.348862
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.818532
• LogD (pH = 7.4): 3.8185272
• Log P: 3.818532
• Molar Refractivity: 59.1658 cm^3
• Polarizability: 20.816338 Å^3
• Polar Surface Area: 58.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05225667

MP Biomedicals Rare Chemical collection