(4-bromophenyl)(cyclobutyl)methanol

• ChemBase ID: 238093
• Molecular Formular: C11H13BrO
• Molecular Mass: 241.12432
• Monoisotopic Mass: 240.01497704
• SMILES: C(c1ccc(cc1)Br)(C1CCC1)O
• Canonical SMILES: OC(c1ccc(cc1)Br)C1CCC1
• InChI: InChI=1S/C11H13BrO/c12-10-6-4-9(5-7-10)11(13)8-2-1-3-8/h4-8,11,13H,1-3H2
• InChIKey: JGWPCRSAIVXMAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12786812
• PubChem SID: 164294003
• PubChem CID: 61100017

CALCULATED PROPERTIES

• Acid pKa: 14.196954
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2595618
• LogD (pH = 7.4): 3.2595615
• Log P: 3.2595618
• Molar Refractivity: 56.7099 cm^3
• Polarizability: 22.161837 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.279

Product Information

• Purity: 95%