1-[(5-bromopentyl)oxy]-4-chlorobenzene

• ChemBase ID: 84747
• Molecular Formular: C11H14BrClO
• Molecular Mass: 277.58526
• Monoisotopic Mass: 275.99165475
• SMILES: Clc1ccc(cc1)OCCCCCBr
• Canonical SMILES: BrCCCCCOc1ccc(cc1)Cl
• InChI: InChI=1S/C11H14BrClO/c12-8-2-1-3-9-14-11-6-4-10(13)5-7-11/h4-7H,1-3,8-9H2
• InChIKey: XJLIDPAXSFPBFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(5-bromopentyl)oxy]-4-chlorobenzene
• IUPAC Traditional name: 1-[(5-bromopentyl)oxy]-4-chlorobenzene
• Synonyms: 1-[(5-bromopentyl)oxy]-4-chlorobenzene

Database IDs

• MDL Number: MFCD00596647
• PubChem SID: 162071863
• PubChem CID: 2794894

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.2914953
• LogD (pH = 7.4): 4.2914953
• Log P: 4.2914953
• Molar Refractivity: 63.7638 cm^3
• Polarizability: 24.772217 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true