[1-(3-bromophenyl)cyclopropyl]methanol

• ChemBase ID: 806840
• Molecular Formular: C10H11BrO
• Molecular Mass: 227.09774
• Monoisotopic Mass: 225.99932697
• SMILES: C(O)C1(CC1)c1cc(ccc1)Br
• Canonical SMILES: OCC1(CC1)c1cccc(c1)Br
• InChI: InChI=1S/C10H11BrO/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6,12H,4-5,7H2
• InChIKey: CDIOPADYQGYOTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-bromophenyl)cyclopropyl]methanol
• IUPAC Traditional name: [1-(3-bromophenyl)cyclopropyl]methanol
• Synonyms: [1-(3-BROMO-PHENYL)-CYCLOPROPYL]-METHANOL

Database IDs

• CAS Number: 886366-33-2

CALCULATED PROPERTIES

• Acid pKa: 15.002138
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5425577
• LogD (pH = 7.4): 2.5425577
• Log P: 2.5425577
• Molar Refractivity: 52.3192 cm^3
• Polarizability: 20.270699 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%