5-(2-methoxyethoxy)-1H-indole

• ChemBase ID: 237596
• Molecular Formular: C11H13NO2
• Molecular Mass: 191.22642
• Monoisotopic Mass: 191.09462866
• SMILES: c12c([nH]cc1)ccc(c2)OCCOC
• Canonical SMILES: COCCOc1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C11H13NO2/c1-13-6-7-14-10-2-3-11-9(8-10)4-5-12-11/h2-5,8,12H,6-7H2,1H3
• InChIKey: FPLAYGBHGUOPLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-methoxyethoxy)-1H-indole
• IUPAC Traditional name: 5-(2-methoxyethoxy)-1H-indole
• Synonyms: 5-(2-methoxyethoxy)-1H-indole

Database IDs

• MDL Number: MFCD20662719
• PubChem SID: 164293506
• PubChem CID: 10352537

CALCULATED PROPERTIES

• Acid pKa: 16.754017
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8673611
• LogD (pH = 7.4): 1.8673611
• Log P: 1.8673611
• Molar Refractivity: 54.6512 cm^3
• Polarizability: 22.43846 Å^3
• Polar Surface Area: 34.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 61 - 63°C
• Hydrophobicity(logP): 2.043

Product Information

• Purity: 95%