1-(benzyloxy)-4-bromo(2H4)benzene

• ChemBase ID: 161454
• Molecular Formular: C13H11BrO
• Molecular Mass: 263.12984
• Monoisotopic Mass: 261.99932697
• SMILES: c1c(ccc(c1)OCc1ccccc1)Br
• Canonical SMILES: Brc1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C13H11BrO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2
• InChIKey: OUQSGILAXUXMGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(benzyloxy)-4-bromo(^2H₄)benzene
• IUPAC Traditional name: 1-(benzyloxy)-4-bromo(^2H₄)benzene
• Synonyms: Benzyl 4-(Bromophenyl)-ether-d4

Database IDs

• PubChem SID: 162255589
• PubChem CID: 45038248

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3088
• LogD (pH = 7.4): 4.3088
• Log P: 4.3088
• Molar Refractivity: 64.7566 cm^3
• Polarizability: 25.142601 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: Pale Yellow to Pale Brown Solid