1-(2-bromoethoxy)-4-ethoxybenzene

• ChemBase ID: 231154
• Molecular Formular: C10H13BrO2
• Molecular Mass: 245.11302
• Monoisotopic Mass: 244.00989166
• SMILES: c1(ccc(cc1)OCCBr)OCC
• Canonical SMILES: BrCCOc1ccc(cc1)OCC
• InChI: InChI=1S/C10H13BrO2/c1-2-12-9-3-5-10(6-4-9)13-8-7-11/h3-6H,2,7-8H2,1H3
• InChIKey: GWIJIQSINPWYNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromoethoxy)-4-ethoxybenzene
• IUPAC Traditional name: 1-(2-bromoethoxy)-4-ethoxybenzene
• Synonyms: 1-(2-Bromo-ethoxy)-4-ethoxy-benzene

Database IDs

• MDL Number: MFCD03964579
• PubChem SID: 164287064
• PubChem CID: 2384319

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8646963
• LogD (pH = 7.4): 2.8646963
• Log P: 2.8646963
• Molar Refractivity: 56.0598 cm^3
• Polarizability: 21.748627 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5

PROPERTIES

Physical Property

• Melting Point: 39 - 41°C
• Hydrophobicity(logP): 3.411

Product Information

• Purity: 95%