(4-fluorophenyl)[3-(methoxymethoxy)phenyl]methanone

• ChemBase ID: 60585
• Molecular Formular: C15H13FO3
• Molecular Mass: 260.2603232
• Monoisotopic Mass: 260.0848725
• SMILES: c1c(cc(cc1)C(=O)c1ccc(cc1)F)OCOC
• Canonical SMILES: COCOc1cccc(c1)C(=O)c1ccc(cc1)F
• InChI: InChI=1S/C15H13FO3/c1-18-10-19-14-4-2-3-12(9-14)15(17)11-5-7-13(16)8-6-11/h2-9H,10H2,1H3
• InChIKey: FSOZGPURULISFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluorophenyl)[3-(methoxymethoxy)phenyl]methanone
• IUPAC Traditional name: (4-fluorophenyl)[3-(methoxymethoxy)phenyl]methanone
• Synonyms: (4-fluorophenyl)[3-(methoxymethoxy)phenyl]methanone; (4-Fluorophenyl)[3-(methoxymethoxy)phenyl]-methanone

Database IDs

• CAS Number: 915923-61-4
• MDL Number: MFCD08059727
• PubChem SID: 162026326
• PubChem CID: 28063181

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4807549
• LogD (pH = 7.4): 3.4807549
• Log P: 3.4807549
• Molar Refractivity: 69.1661 cm^3
• Polarizability: 26.690525 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false