(7-methyl-1H-indol-3-yl)methanol

• ChemBase ID: 811343
• Molecular Formular: C10H11NO
• Molecular Mass: 161.20044
• Monoisotopic Mass: 161.08406398
• SMILES: C(O)c1c[nH]c2c1cccc2C
• Canonical SMILES: OCc1c[nH]c2c1cccc2C
• InChI: InChI=1S/C10H11NO/c1-7-3-2-4-9-8(6-12)5-11-10(7)9/h2-5,11-12H,6H2,1H3
• InChIKey: UMXJDKDRSWZQEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7-methyl-1H-indol-3-yl)methanol
• IUPAC Traditional name: (7-methyl-1H-indol-3-yl)methanol
• Synonyms: (7-METHYL-1H-INDOL-3-YL)METHANOL

Database IDs

• CAS Number: 773868-89-6

CALCULATED PROPERTIES

• Acid pKa: 15.182624
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.8180795
• LogD (pH = 7.4): 1.8180795
• Log P: 1.8180795
• Molar Refractivity: 49.0016 cm^3
• Polarizability: 19.80055 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%