4-(benzyloxy)-1-methyl-1H-indole

• ChemBase ID: 292487
• Molecular Formular: C16H15NO
• Molecular Mass: 237.2964
• Monoisotopic Mass: 237.11536411
• SMILES: Cn1ccc2c1cccc2OCc1ccccc1
• Canonical SMILES: Cn1ccc2c1cccc2OCc1ccccc1
• InChI: InChI=1S/C16H15NO/c1-17-11-10-14-15(17)8-5-9-16(14)18-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
• InChIKey: LNDAWVOJQQXZTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-1-methyl-1H-indole
• IUPAC Traditional name: 4-(benzyloxy)-1-methylindole
• Synonyms: 4-(Benzyloxy)-1-methyl-1H-indole

Database IDs

• CAS Number: 13523-93-8
• PubChem SID: 180678018
• PubChem CID: 24776901

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8624856
• LogD (pH = 7.4): 3.8624856
• Log P: 3.8624856
• Molar Refractivity: 73.117 cm^3
• Polarizability: 29.505032 Å^3
• Polar Surface Area: 14.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%