1-ethoxy-4-[1-(4-ethoxyphenyl)-1-oxo-1$l^{5},2-diazen-2-yl]benzene

• ChemBase ID: 112285
• Molecular Formular: C16H18N2O3
• Molecular Mass: 286.32572
• Monoisotopic Mass: 286.13174245
• SMILES: CCOc1ccc(cc1)/N=[N+](\[O-])/c1ccc(OCC)cc1
• Canonical SMILES: CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-]
• InChI: InChI=1S/C16H18N2O3/c1-3-20-15-9-5-13(6-10-15)17-18(19)14-7-11-16(12-8-14)21-4-2/h5-12H,3-4H2,1-2H3
• InChIKey: QUICZVHSJNKDBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethoxy-4-[1-(4-ethoxyphenyl)-1-oxo-1$l^{5},2-diazen-2-yl]benzene
• IUPAC Traditional name: 1-ethoxy-4-[1-(4-ethoxyphenyl)-1-oxo-1$l^{5},2-diazen-2-yl]benzene
• Synonyms: p-AZOXY PHENETOLE

Database IDs

• CAS Number: 4792-83-0
• PubChem SID: 162098162
• PubChem CID: 78520

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3084161
• LogD (pH = 7.4): 3.3084161
• Log P: 3.3084161
• Molar Refractivity: 83.5477 cm^3
• Polarizability: 30.751467 Å^3
• Polar Surface Area: 59.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05223343

MP Biomedicals Rare Chemical collection