1-(bromomethyl)-2-(cyclopropylmethoxy)benzene

• ChemBase ID: 268513
• Molecular Formular: C11H13BrO
• Molecular Mass: 241.12432
• Monoisotopic Mass: 240.01497704
• SMILES: C1(CC1)COc1c(CBr)cccc1
• Canonical SMILES: BrCc1ccccc1OCC1CC1
• InChI: InChI=1S/C11H13BrO/c12-7-10-3-1-2-4-11(10)13-8-9-5-6-9/h1-4,9H,5-8H2
• InChIKey: MPKYISWQFHZOOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12138923
• PubChem SID: 164324423
• PubChem CID: 43560511

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.368889
• LogD (pH = 7.4): 3.368889
• Log P: 3.368889
• Molar Refractivity: 57.3136 cm^3
• Polarizability: 22.126024 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.816

Product Information

• Purity: 95%