2-butoxy-4-fluoro-1-methoxybenzene

• ChemBase ID: 180206
• Molecular Formular: C11H15FO2
• Molecular Mass: 198.2340032
• Monoisotopic Mass: 198.10560794
• SMILES: c1(cc(ccc1OC)F)OCCCC
• Canonical SMILES: CCCCOc1cc(F)ccc1OC
• InChI: InChI=1S/C11H15FO2/c1-3-4-7-14-11-8-9(12)5-6-10(11)13-2/h5-6,8H,3-4,7H2,1-2H3
• InChIKey: KASJUMUCQVVPAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butoxy-4-fluoro-1-methoxybenzene
• IUPAC Traditional name: 2-butoxy-4-fluoro-1-methoxybenzene
• Synonyms: 2-Butoxy-4-fluoro-1-methoxybenzene

Database IDs

• PubChem SID: 164236116
• PubChem CID: 53406547

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1245043
• LogD (pH = 7.4): 3.1245043
• Log P: 3.1245043
• Molar Refractivity: 53.0744 cm^3
• Polarizability: 20.557749 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true