1-bromo-4-[2-(2-ethoxyethoxy)ethoxy]benzene

• ChemBase ID: 278114
• Molecular Formular: C12H17BrO3
• Molecular Mass: 289.16558
• Monoisotopic Mass: 288.0361064
• SMILES: c1(Br)ccc(cc1)OCCOCCOCC
• Canonical SMILES: CCOCCOCCOc1ccc(cc1)Br
• InChI: InChI=1S/C12H17BrO3/c1-2-14-7-8-15-9-10-16-12-5-3-11(13)4-6-12/h3-6H,2,7-10H2,1H3
• InChIKey: AVMRFGXOQBMEJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-[2-(2-ethoxyethoxy)ethoxy]benzene
• IUPAC Traditional name: 1-bromo-4-[2-(2-ethoxyethoxy)ethoxy]benzene
• Synonyms: 1-bromo-4-[2-(2-ethoxyethoxy)ethoxy]benzene

Database IDs

• MDL Number: MFCD14686981
• PubChem SID: 164334024
• PubChem CID: 54594822

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8471842
• LogD (pH = 7.4): 2.8471842
• Log P: 2.8471842
• Molar Refractivity: 66.9796 cm^3
• Polarizability: 26.247177 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.207

Product Information

• Purity: 95%