1-(2,2-dibromo-1-methylcyclopropyl)-4-methoxybenzene

• ChemBase ID: 120457
• Molecular Formular: C11H12Br2O
• Molecular Mass: 320.02038
• Monoisotopic Mass: 317.925489
• SMILES: C1(C(C1)(c1ccc(cc1)OC)C)(Br)Br
• Canonical SMILES: COc1ccc(cc1)C1(C)CC1(Br)Br
• InChI: InChI=1S/C11H12Br2O/c1-10(7-11(10,12)13)8-3-5-9(14-2)6-4-8/h3-6H,7H2,1-2H3
• InChIKey: NWFRTSLXRDGBHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2-dibromo-1-methylcyclopropyl)-4-methoxybenzene
• IUPAC Traditional name: 1-(2,2-dibromo-1-methylcyclopropyl)-4-methoxybenzene
• Synonyms: 1-(2,2-dibromo-1-methylcyclopropyl)-4-methoxybenzene

Database IDs

• PubChem SID: 162214810
• PubChem CID: 2771897

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4965456
• LogD (pH = 7.4): 3.4965456
• Log P: 3.4965456
• Molar Refractivity: 65.1865 cm^3
• Polarizability: 24.974577 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true