cyclopropyl(4-fluoro-3-methylphenyl)methanol

• ChemBase ID: 244269
• Molecular Formular: C11H13FO
• Molecular Mass: 180.2187232
• Monoisotopic Mass: 180.09504326
• SMILES: C1(CC1)C(c1cc(c(cc1)F)C)O
• Canonical SMILES: OC(c1ccc(c(c1)C)F)C1CC1
• InChI: InChI=1S/C11H13FO/c1-7-6-9(4-5-10(7)12)11(13)8-2-3-8/h4-6,8,11,13H,2-3H2,1H3
• InChIKey: YBUARYQDBOZGOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl(4-fluoro-3-methylphenyl)methanol
• IUPAC Traditional name: cyclopropyl(4-fluoro-3-methylphenyl)methanol
• Synonyms: cyclopropyl(4-fluoro-3-methylphenyl)methanol

Database IDs

• MDL Number: MFCD11934895
• PubChem SID: 164300179
• PubChem CID: 20785608

CALCULATED PROPERTIES

• Acid pKa: 14.221885
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7023637
• LogD (pH = 7.4): 2.7023637
• Log P: 2.7023637
• Molar Refractivity: 49.7437 cm^3
• Polarizability: 19.000854 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.499

Product Information

• Purity: 95%