1-(bromomethyl)-3-(2-phenylethoxy)benzene

• ChemBase ID: 241976
• Molecular Formular: C15H15BrO
• Molecular Mass: 291.183
• Monoisotopic Mass: 290.0306271
• SMILES: c1c(OCCc2ccccc2)cccc1CBr
• Canonical SMILES: BrCc1cccc(c1)OCCc1ccccc1
• InChI: InChI=1S/C15H15BrO/c16-12-14-7-4-8-15(11-14)17-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2
• InChIKey: BNSWDBJVHAWHEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-3-(2-phenylethoxy)benzene
• IUPAC Traditional name: 1-(bromomethyl)-3-(2-phenylethoxy)benzene
• Synonyms: 1-(bromomethyl)-3-(2-phenylethoxy)benzene

Database IDs

• MDL Number: MFCD11180523
• PubChem SID: 164297886
• PubChem CID: 43141722

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.601446
• LogD (pH = 7.4): 4.601446
• Log P: 4.601446
• Molar Refractivity: 74.7392 cm^3
• Polarizability: 28.62046 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.94

Product Information

• Purity: 95%