(E)-[4-(benzyloxy)phenyl](phenyl)diazene

• ChemBase ID: 161756
• Molecular Formular: C19H16N2O
• Molecular Mass: 288.34314
• Monoisotopic Mass: 288.12626314
• SMILES: c1cccc(c1)/N=N/c1ccc(cc1)OCc1ccccc1
• Canonical SMILES: c1ccc(cc1)COc1ccc(cc1)/N=N/c1ccccc1
• InChI: InChI=1S/C19H16N2O/c1-3-7-16(8-4-1)15-22-19-13-11-18(12-14-19)21-20-17-9-5-2-6-10-17/h1-14H,15H2/b21-20+
• InChIKey: SDKQJMOEGSAXET-QZQOTICOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-[4-(benzyloxy)phenyl](phenyl)diazene
• IUPAC Traditional name: (E)-[4-(benzyloxy)phenyl](phenyl)diazene
• Synonyms: Phenyl[4-(phenylmethoxy)phenyl]diazene; p-Benzyloxyazobenzene; 1-Phenyl-2-[4-(phenylmethoxy)phenyl]diazene; 4-Benzyloxyazobenzene

Database IDs

• CAS Number: 75365-76-3
• PubChem SID: 162255891
• PubChem CID: 13840487

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.945935
• LogD (pH = 7.4): 5.9459414
• Log P: 5.9459414
• Molar Refractivity: 91.4528 cm^3
• Polarizability: 33.707397 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

DETAILS

Toronto Research Chemicals - B286140

Intermediate in the preparation of Oxyphenbutazone.