1-(1H-indol-2-yl)ethan-1-ol

• ChemBase ID: 246545
• Molecular Formular: C10H11NO
• Molecular Mass: 161.20044
• Monoisotopic Mass: 161.08406398
• SMILES: c1([nH]c2c(c1)cccc2)C(O)C
• Canonical SMILES: CC(c1cc2c([nH]1)cccc2)O
• InChI: InChI=1S/C10H11NO/c1-7(12)10-6-8-4-2-3-5-9(8)11-10/h2-7,11-12H,1H3
• InChIKey: AYDNGOXYPCMWIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1H-indol-2-yl)ethan-1-ol
• IUPAC Traditional name: 1-(1H-indol-2-yl)ethanol
• Synonyms: 1-(1H-indol-2-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD00558464
• PubChem SID: 164302455
• PubChem CID: 3326675

CALCULATED PROPERTIES

• Acid pKa: 14.454535
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.6412342
• LogD (pH = 7.4): 1.6412342
• Log P: 1.6412342
• Molar Refractivity: 48.2567 cm^3
• Polarizability: 19.88206 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.403

Product Information

• Purity: 95%