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

• ChemBase ID: 263149
• Molecular Formular: C10H11NO
• Molecular Mass: 161.20044
• Monoisotopic Mass: 161.08406398
• SMILES: c1(c[nH]c2c1c(ccc2)C)CO
• Canonical SMILES: OCc1c[nH]c2c1c(C)ccc2
• InChI: InChI=1S/C10H11NO/c1-7-3-2-4-9-10(7)8(6-12)5-11-9/h2-5,11-12H,6H2,1H3
• InChIKey: WVIVUJSADWBQDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methyl-1H-indol-3-yl)methanol
• IUPAC Traditional name: (4-methyl-1H-indol-3-yl)methanol
• Synonyms: (4-methyl-1H-indol-3-yl)methanol

Database IDs

• MDL Number: MFCD11212305
• PubChem SID: 164319059
• PubChem CID: 43163586

CALCULATED PROPERTIES

• Acid pKa: 15.166578
• 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: 19.799784 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.593

Product Information

• Purity: 95%