1-[3-(benzyloxy)phenyl]-4-methoxybenzene

• ChemBase ID: 291330
• Molecular Formular: C20H18O2
• Molecular Mass: 290.35572
• Monoisotopic Mass: 290.13067982
• SMILES: COc1ccc(c2cccc(OCc3ccccc3)c2)cc1
• Canonical SMILES: COc1ccc(cc1)c1cccc(c1)OCc1ccccc1
• InChI: InChI=1S/C20H18O2/c1-21-19-12-10-17(11-13-19)18-8-5-9-20(14-18)22-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3
• InChIKey: JRUUDJIJHJSUFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(benzyloxy)phenyl]-4-methoxybenzene
• IUPAC Traditional name: 1-[3-(benzyloxy)phenyl]-4-methoxybenzene
• Synonyms: 3-(Benzyloxy)-4'-methoxy-1,1'-biphenyl

Database IDs

• CAS Number: 132470-28-1
• MDL Number: MFCD20529465
• PubChem SID: 180676861
• PubChem CID: 15044366

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.0296016
• LogD (pH = 7.4): 5.0296016
• Log P: 5.0296016
• Molar Refractivity: 88.7332 cm^3
• Polarizability: 36.02044 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%