3-(4-fluorophenoxy)propan-1-ol

• ChemBase ID: 254790
• Molecular Formular: C9H11FO2
• Molecular Mass: 170.1808432
• Monoisotopic Mass: 170.07430781
• SMILES: c1(F)ccc(cc1)OCCCO
• Canonical SMILES: OCCCOc1ccc(cc1)F
• InChI: InChI=1S/C9H11FO2/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5,11H,1,6-7H2
• InChIKey: WRQULXUPZRAOHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorophenoxy)propan-1-ol
• IUPAC Traditional name: 3-(4-fluorophenoxy)propan-1-ol
• Synonyms: 3-(4-fluorophenoxy)propan-1-ol

Database IDs

• MDL Number: MFCD08442180
• PubChem SID: 164310700
• PubChem CID: 13691211

CALCULATED PROPERTIES

• Acid pKa: 15.898743
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3281342
• LogD (pH = 7.4): 1.3281342
• Log P: 1.3281342
• Molar Refractivity: 43.8953 cm^3
• Polarizability: 16.838896 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.865

Product Information

• Purity: 95%