(1S)-1-(4-fluorophenyl)propan-1-ol

• ChemBase ID: 248207
• Molecular Formular: C9H11FO
• Molecular Mass: 154.1814432
• Monoisotopic Mass: 154.07939319
• SMILES: c1(ccc(cc1)F)[C@@H](O)CC
• Canonical SMILES: CC[C@@H](c1ccc(cc1)F)O
• InChI: InChI=1S/C9H11FO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9,11H,2H2,1H3/t9-/m0/s1
• InChIKey: CBNKDCZWGZSHNR-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-(4-fluorophenyl)propan-1-ol
• IUPAC Traditional name: (1S)-1-(4-fluorophenyl)propan-1-ol
• Synonyms: (1S)-1-(4-fluorophenyl)propan-1-ol

Database IDs

• MDL Number: MFCD01318540
• PubChem SID: 164304117
• PubChem CID: 10125079

CALCULATED PROPERTIES

• Acid pKa: 14.45376
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2876954
• LogD (pH = 7.4): 2.2876954
• Log P: 2.2876954
• Molar Refractivity: 42.0331 cm^3
• Polarizability: 16.123018 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.085

Product Information

• Purity: 95%