1-(benzyloxy)-3-[(E)-2-bromoethenyl]benzene

• ChemBase ID: 801918
• Molecular Formular: C15H13BrO
• Molecular Mass: 289.16712
• Monoisotopic Mass: 288.01497704
• SMILES: c1(cc(ccc1)/C=C/Br)OCc1ccccc1
• Canonical SMILES: Br/C=C/c1cccc(c1)OCc1ccccc1
• InChI: InChI=1S/C15H13BrO/c16-10-9-13-7-4-8-15(11-13)17-12-14-5-2-1-3-6-14/h1-11H,12H2/b10-9+
• InChIKey: BOQKZPNVKISALU-MDZDMXLPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(benzyloxy)-3-[(E)-2-bromoethenyl]benzene
• IUPAC Traditional name: 1-(benzyloxy)-3-[(E)-2-bromoethenyl]benzene
• Synonyms: 1-(BENZYLOXY)-3-[(E)-2-BROMOVINYL]BENZENE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.758655
• LogD (pH = 7.4): 4.758655
• Log P: 4.758655
• Molar Refractivity: 74.4397 cm^3
• Polarizability: 28.531494 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%