(1-methoxy-1H-indol-3-yl)methanol

• ChemBase ID: 798924
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: C(O)c1cn(c2c1cccc2)OC
• Canonical SMILES: OCc1cn(c2c1cccc2)OC
• InChI: InChI=1S/C10H11NO2/c1-13-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-6,12H,7H2,1H3
• InChIKey: AQEZKEWAYCAHAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methoxy-1H-indol-3-yl)methanol
• IUPAC Traditional name: (1-methoxyindol-3-yl)methanol
• Synonyms: 1-Methoxy-1Hindole-3-methanol

Database IDs

• CAS Number: 110139-35-0

CALCULATED PROPERTIES

• Acid pKa: 15.036683
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0103137
• LogD (pH = 7.4): 1.0103137
• Log P: 1.0103137
• Molar Refractivity: 51.618 cm^3
• Polarizability: 20.51993 Å^3
• Polar Surface Area: 34.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%