2-[(2-fluorophenyl)methoxy]benzaldehyde

• ChemBase ID: 25943
• Molecular Formular: C14H11FO2
• Molecular Mass: 230.2343432
• Monoisotopic Mass: 230.07430781
• SMILES: c1(COc2c(C=O)cccc2)c(F)cccc1
• Canonical SMILES: O=Cc1ccccc1OCc1ccccc1F
• InChI: InChI=1S/C14H11FO2/c15-13-7-3-1-6-12(13)10-17-14-8-4-2-5-11(14)9-16/h1-9H,10H2
• InChIKey: BNEIFWJSGRGFJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-fluorophenyl)methoxy]benzaldehyde
• IUPAC Traditional name: 2-[(2-fluorophenyl)methoxy]benzaldehyde
• Synonyms: 2-[(2-Fluorobenzyl)oxy]benzaldehyde

Database IDs

• CAS Number: 172685-66-4
• MDL Number: MFCD00589050
• PubChem SID: 160989250
• PubChem CID: 2063523

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.395252
• LogD (pH = 7.4): 3.395252
• Log P: 3.395252
• Molar Refractivity: 63.9342 cm^3
• Polarizability: 23.984457 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false