2-[(2-fluorophenyl)methoxy]naphthalene-1-carbaldehyde

• ChemBase ID: 311949
• Molecular Formular: C18H13FO2
• Molecular Mass: 280.2930232
• Monoisotopic Mass: 280.08995788
• SMILES: c1(c2c(ccc1OCc1c(F)cccc1)cccc2)C=O
• Canonical SMILES: O=Cc1c(OCc2ccccc2F)ccc2c1cccc2
• InChI: InChI=1S/C18H13FO2/c19-17-8-4-2-6-14(17)12-21-18-10-9-13-5-1-3-7-15(13)16(18)11-20/h1-11H,12H2
• InChIKey: HLLJGANAKWVJRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-fluorophenyl)methoxy]naphthalene-1-carbaldehyde
• IUPAC Traditional name: 2-[(2-fluorophenyl)methoxy]naphthalene-1-carbaldehyde
• Synonyms: 2-[(2-fluorobenzyl)oxy]-1-naphthaldehyde

Database IDs

• CAS Number: 725276-88-0
• MDL Number: MFCD04227166

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.384729
• LogD (pH = 7.4): 4.384729
• Log P: 4.384729
• Molar Refractivity: 80.3844 cm^3
• Polarizability: 31.49532 Å^3
• Polar Surface Area: 26.3 Å^2