(1-methyl-1H-indol-2-yl)methanol

• ChemBase ID: 813063
• Molecular Formular: C10H11NO
• Molecular Mass: 161.20044
• Monoisotopic Mass: 161.08406398
• SMILES: C(O)c1cc2ccccc2n1C
• Canonical SMILES: OCc1cc2c(n1C)cccc2
• InChI: InChI=1S/C10H11NO/c1-11-9(7-12)6-8-4-2-3-5-10(8)11/h2-6,12H,7H2,1H3
• InChIKey: PJNHWHPOWRDOGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1H-indol-2-yl)methanol
• IUPAC Traditional name: (1-methylindol-2-yl)methanol
• Synonyms: (1-METHYL-1H-INDOL-2-YL)-METHANOL

Database IDs

• CAS Number: 1485-22-9

CALCULATED PROPERTIES

• Acid pKa: 14.695371
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4483353
• LogD (pH = 7.4): 1.4483352
• Log P: 1.4483353
• Molar Refractivity: 48.7346 cm^3
• Polarizability: 19.796968 Å^3
• Polar Surface Area: 25.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%