1-[2-(4-fluorophenoxy)ethyl]-1H-indole-3-carbaldehyde

• ChemBase ID: 311509
• Molecular Formular: C17H14FNO2
• Molecular Mass: 283.2969632
• Monoisotopic Mass: 283.10085691
• SMILES: c1(cn(c2c1cccc2)CCOc1ccc(F)cc1)C=O
• Canonical SMILES: O=Cc1cn(c2c1cccc2)CCOc1ccc(cc1)F
• InChI: InChI=1S/C17H14FNO2/c18-14-5-7-15(8-6-14)21-10-9-19-11-13(12-20)16-3-1-2-4-17(16)19/h1-8,11-12H,9-10H2
• InChIKey: LZDGENIAAFJSHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-fluorophenoxy)ethyl]-1H-indole-3-carbaldehyde
• IUPAC Traditional name: 1-[2-(4-fluorophenoxy)ethyl]indole-3-carbaldehyde
• Synonyms: 1-[2-(4-fluorophenoxy)ethyl]-1H-indole-3-carbaldehyde

Database IDs

• CAS Number: 340318-78-7
• MDL Number: MFCD02197471

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7949378
• LogD (pH = 7.4): 3.7949378
• Log P: 3.7949378
• Molar Refractivity: 79.3938 cm^3
• Polarizability: 30.952526 Å^3
• Polar Surface Area: 31.23 Å^2