1-methyl-1H-indol-4-ol

• ChemBase ID: 288216
• Molecular Formular: C9H9NO
• Molecular Mass: 147.17386
• Monoisotopic Mass: 147.06841391
• SMILES: Oc1cccc2c1ccn2C
• Canonical SMILES: Oc1cccc2c1ccn2C
• InChI: InChI=1S/C9H9NO/c1-10-6-5-7-8(10)3-2-4-9(7)11/h2-6,11H,1H3
• InChIKey: WSMJTXVQAZYLAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-indol-4-ol
• IUPAC Traditional name: 1-methylindol-4-ol
• Synonyms: 1-Methyl-1H-indol-4-ol

Database IDs

• CAS Number: 7556-37-8
• PubChem SID: 180673747
• PubChem CID: 15825739

CALCULATED PROPERTIES

• LogD (pH = 5.5): 1.9920423
• LogD (pH = 7.4): 1.9861053
• Log P: 1.9921186
• Molar Refractivity: 44.0221 cm^3
• Polarizability: 17.941322 Å^3
• Polar Surface Area: 25.16 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 9.252783
• H Acceptors: 1
• H Donor: 1

PROPERTIES

Product Information

• Purity: 95+%