5-(4-chlorophenoxy)pentyl 2-(2-fluorophenyl)acetate

• ChemBase ID: 96229
• Molecular Formular: C19H20ClFO3
• Molecular Mass: 350.8117032
• Monoisotopic Mass: 350.1085004
• SMILES: O=C(Cc1ccccc1F)OCCCCCOc1ccc(cc1)Cl
• Canonical SMILES: O=C(Cc1ccccc1F)OCCCCCOc1ccc(cc1)Cl
• InChI: InChI=1S/C19H20ClFO3/c20-16-8-10-17(11-9-16)23-12-4-1-5-13-24-19(22)14-15-6-2-3-7-18(15)21/h2-3,6-11H,1,4-5,12-14H2
• InChIKey: PJKWVHSBFPTRNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-chlorophenoxy)pentyl 2-(2-fluorophenyl)acetate
• IUPAC Traditional name: 5-(4-chlorophenoxy)pentyl 2-(2-fluorophenyl)acetate
• Synonyms: 5-(4-chlorophenoxy)pentyl 2-(2-fluorophenyl)acetate

Database IDs

• MDL Number: MFCD00277828
• PubChem SID: 162082878
• PubChem CID: 2781176

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.1695757
• LogD (pH = 7.4): 5.1695757
• Log P: 5.1695757
• Molar Refractivity: 91.8191 cm^3
• Polarizability: 35.789997 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false