1-(2-bromoethoxy)-4-propoxybenzene

• ChemBase ID: 234160
• Molecular Formular: C11H15BrO2
• Molecular Mass: 259.1396
• Monoisotopic Mass: 258.02554172
• SMILES: c1(ccc(cc1)OCCBr)OCCC
• Canonical SMILES: CCCOc1ccc(cc1)OCCBr
• InChI: InChI=1S/C11H15BrO2/c1-2-8-13-10-3-5-11(6-4-10)14-9-7-12/h3-6H,2,7-9H2,1H3
• InChIKey: GULIYFUKBQTDHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromoethoxy)-4-propoxybenzene
• IUPAC Traditional name: 1-(2-bromoethoxy)-4-propoxybenzene
• Synonyms: 1-(2-bromoethoxy)-4-propoxybenzene

Database IDs

• MDL Number: MFCD05263780
• PubChem SID: 164290070
• PubChem CID: 4996090

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3872187
• LogD (pH = 7.4): 3.3872187
• Log P: 3.3872187
• Molar Refractivity: 60.5838 cm^3
• Polarizability: 23.567047 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45 - 47°C
• Hydrophobicity(logP): 3.94

Product Information

• Purity: 95%