2-(benzyloxy)-4-bromo-1-methoxybenzene

• ChemBase ID: 804009
• Molecular Formular: C14H13BrO2
• Molecular Mass: 293.15582
• Monoisotopic Mass: 292.00989166
• SMILES: COc1c(cc(cc1)Br)OCc1ccccc1
• Canonical SMILES: COc1ccc(cc1OCc1ccccc1)Br
• InChI: InChI=1S/C14H13BrO2/c1-16-13-8-7-12(15)9-14(13)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
• InChIKey: OFFXGGNLPNBCBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-4-bromo-1-methoxybenzene
• IUPAC Traditional name: 2-(benzyloxy)-4-bromo-1-methoxybenzene
• Synonyms: 2-(BENZYLOXY)-4-BROMOANISOLE

Database IDs

• CAS Number: 78504-28-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.1511292
• LogD (pH = 7.4): 4.1511292
• Log P: 4.1511292
• Molar Refractivity: 71.2198 cm^3
• Polarizability: 27.671047 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%