1-(3-fluorophenyl)propan-2-ol

• ChemBase ID: 238000
• Molecular Formular: C9H11FO
• Molecular Mass: 154.1814432
• Monoisotopic Mass: 154.07939319
• SMILES: c1(cc(F)ccc1)CC(O)C
• Canonical SMILES: CC(Cc1cccc(c1)F)O
• InChI: InChI=1S/C9H11FO/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6-7,11H,5H2,1H3
• InChIKey: ILRPFUSLGCORHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-fluorophenyl)propan-2-ol
• IUPAC Traditional name: 1-(3-fluorophenyl)propan-2-ol
• Synonyms: 1-(3-fluorophenyl)propan-2-ol

Database IDs

• MDL Number: MFCD11934387
• PubChem SID: 164293910
• PubChem CID: 57812273

CALCULATED PROPERTIES

• Acid pKa: 15.528408
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0538342
• LogD (pH = 7.4): 2.0538342
• Log P: 2.0538342
• Molar Refractivity: 42.2641 cm^3
• Polarizability: 16.052195 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.785

Product Information

• Purity: 95%