2-methyl-1H-indol-5-ol

• ChemBase ID: 294317
• Molecular Formular: C9H9NO
• Molecular Mass: 147.17386
• Monoisotopic Mass: 147.06841391
• SMILES: Cc1cc2c([nH]1)ccc(O)c2
• Canonical SMILES: Oc1ccc2c(c1)cc([nH]2)C
• InChI: InChI=1S/C9H9NO/c1-6-4-7-5-8(11)2-3-9(7)10-6/h2-5,10-11H,1H3
• InChIKey: MDWJZBVEVLTXDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1H-indol-5-ol
• IUPAC Traditional name: 2-methyl-1H-indol-5-ol
• Synonyms: 2-Methyl-1H-indol-5-ol

Database IDs

• CAS Number: 13314-85-7
• MDL Number: MFCD00022714
• PubChem SID: 180679848
• PubChem CID: 83336

CALCULATED PROPERTIES

• Acid pKa: 9.572208
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.9679673
• LogD (pH = 7.4): 1.9651104
• Log P: 1.9680039
• Molar Refractivity: 44.2751 cm^3
• Polarizability: 17.938787 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%