5,6-dimethoxy-2,3-dihydro-1H-indole

• ChemBase ID: 286169
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: c12cc(c(cc1CCN2)OC)OC
• Canonical SMILES: COc1cc2NCCc2cc1OC
• InChI: InChI=1S/C10H13NO2/c1-12-9-5-7-3-4-11-8(7)6-10(9)13-2/h5-6,11H,3-4H2,1-2H3
• InChIKey: DPRMKYPHVPDUIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethoxy-2,3-dihydro-1H-indole
• IUPAC Traditional name: 5,6-dimethoxy-2,3-dihydro-1H-indole
• Synonyms: 5,6-dimethoxy-2,3-dihydro-1H-indole; 5,6-Dimethoxyindoline

Database IDs

• CAS Number: 15937-07-2
• MDL Number: MFCD09734896
• PubChem SID: 180671700
• PubChem CID: 11062978

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.98762316
• LogD (pH = 7.4): 1.167711
• Log P: 1.1705699
• Molar Refractivity: 52.4878 cm^3
• Polarizability: 19.379519 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103 - 105°C
• Hydrophobicity(logP): 1.563

Product Information

• Purity: 95%; 95+%