1-(bromomethyl)-2-(2-methylpropoxy)benzene

• ChemBase ID: 268599
• Molecular Formular: C11H15BrO
• Molecular Mass: 243.1402
• Monoisotopic Mass: 242.0306271
• SMILES: c1(c(OCC(C)C)cccc1)CBr
• Canonical SMILES: BrCc1ccccc1OCC(C)C
• InChI: InChI=1S/C11H15BrO/c1-9(2)8-13-11-6-4-3-5-10(11)7-12/h3-6,9H,7-8H2,1-2H3
• InChIKey: IMRPPXKOKBZGQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-2-(2-methylpropoxy)benzene
• IUPAC Traditional name: 1-(bromomethyl)-2-(2-methylpropoxy)benzene
• Synonyms: 1-(bromomethyl)-2-(2-methylpropoxy)benzene

Database IDs

• MDL Number: MFCD11180406
• PubChem SID: 164324509
• PubChem CID: 43141562

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8326151
• LogD (pH = 7.4): 3.8326151
• Log P: 3.8326151
• Molar Refractivity: 59.1158 cm^3
• Polarizability: 22.834394 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.3

Product Information

• Purity: 95%