6-methoxy-2,3-dihydro-1H-indole

• ChemBase ID: 809015
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: C1Cc2ccc(cc2N1)OC
• Canonical SMILES: COc1ccc2c(c1)NCC2
• InChI: InChI=1S/C9H11NO/c1-11-8-3-2-7-4-5-10-9(7)6-8/h2-3,6,10H,4-5H2,1H3
• InChIKey: GKFGHNMPMAXWQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2,3-dihydro-1H-indole
• IUPAC Traditional name: 6-methoxy-2,3-dihydro-1H-indole
• Synonyms: 6-METHOXYINDOLINE

Database IDs

• CAS Number: 7556-47-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3106309
• LogD (pH = 7.4): 1.328015
• Log P: 1.3282412
• Molar Refractivity: 46.0246 cm^3
• Polarizability: 16.860008 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%