(4-bromophenyl)(cyclopropyl)methanol

• ChemBase ID: 275655
• Molecular Formular: C10H11BrO
• Molecular Mass: 227.09774
• Monoisotopic Mass: 225.99932697
• SMILES: C1(CC1)C(c1ccc(cc1)Br)O
• Canonical SMILES: OC(c1ccc(cc1)Br)C1CC1
• InChI: InChI=1S/C10H11BrO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7,10,12H,1-2H2
• InChIKey: PLVQKMYLBFYJHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromophenyl)(cyclopropyl)methanol
• IUPAC Traditional name: (4-bromophenyl)(cyclopropyl)methanol
• Synonyms: (4-bromophenyl)(cyclopropyl)methanol

Database IDs

• MDL Number: MFCD00019251
• PubChem SID: 164331565
• PubChem CID: 123566

CALCULATED PROPERTIES

• Acid pKa: 14.196922
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.814993
• LogD (pH = 7.4): 2.814993
• Log P: 2.814993
• Molar Refractivity: 52.1089 cm^3
• Polarizability: 20.340029 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.72

Product Information

• Purity: 95%