3-[(2-fluorophenyl)methoxy]benzaldehyde

• ChemBase ID: 26026
• Molecular Formular: C14H11FO2
• Molecular Mass: 230.2343432
• Monoisotopic Mass: 230.07430781
• SMILES: c1(c(F)cccc1)COc1cc(C=O)ccc1
• Canonical SMILES: O=Cc1cccc(c1)OCc1ccccc1F
• InChI: InChI=1S/C14H11FO2/c15-14-7-2-1-5-12(14)10-17-13-6-3-4-11(8-13)9-16/h1-9H,10H2
• InChIKey: LTELQZWKXZXVDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-fluorophenyl)methoxy]benzaldehyde
• IUPAC Traditional name: 3-[(2-fluorophenyl)methoxy]benzaldehyde
• Synonyms: 3-[(2-Fluorobenzyl)oxy]benzaldehyde; 3-[(2-fluorophenyl)methoxy]benzaldehyde

Database IDs

• MDL Number: MFCD01590570
• PubChem SID: 160989333
• PubChem CID: 784582

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: 23.98256 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.69

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%