2-fluoro-4-methoxy-1-(propan-2-yloxy)benzene

• ChemBase ID: 100068
• Molecular Formular: C10H13FO2
• Molecular Mass: 184.2074232
• Monoisotopic Mass: 184.08995788
• SMILES: O(c1c(cc(cc1)OC)F)C(C)C
• Canonical SMILES: COc1ccc(c(c1)F)OC(C)C
• InChI: InChI=1S/C10H13FO2/c1-7(2)13-10-5-4-8(12-3)6-9(10)11/h4-7H,1-3H3
• InChIKey: CAHIPAKPHLPQMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-methoxy-1-(propan-2-yloxy)benzene
• IUPAC Traditional name: 2-fluoro-1-isopropoxy-4-methoxybenzene
• Synonyms: 2-(2'-Fluoro-4'-methoxyphenoxy)propane 97%

Database IDs

• MDL Number: MFCD00070799
• PubChem SID: 162086513
• PubChem CID: 2774561

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5739882
• LogD (pH = 7.4): 2.5739882
• Log P: 2.5739882
• Molar Refractivity: 48.3682 cm^3
• Polarizability: 18.722548 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant