(1-ethyl-1H-indol-6-yl)methanol

• ChemBase ID: 34073
• Molecular Formular: C11H13NO
• Molecular Mass: 175.22702
• Monoisotopic Mass: 175.09971404
• SMILES: n1(c2c(cc1)ccc(c2)CO)CC
• Canonical SMILES: OCc1ccc2c(c1)n(CC)cc2
• InChI: InChI=1S/C11H13NO/c1-2-12-6-5-10-4-3-9(8-13)7-11(10)12/h3-7,13H,2,8H2,1H3
• InChIKey: DJKIKLARWURLJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-ethyl-1H-indol-6-yl)methanol
• IUPAC Traditional name: (1-ethylindol-6-yl)methanol
• Synonyms: (1-Ethyl-1H-indol-6-yl)methanol

Database IDs

• MDL Number: MFCD12026988
• PubChem SID: 160997380
• PubChem CID: 25219409

CALCULATED PROPERTIES

• Acid pKa: 14.921471
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8851421
• LogD (pH = 7.4): 1.8851421
• Log P: 1.8851421
• Molar Refractivity: 53.6057 cm^3
• Polarizability: 21.642117 Å^3
• Polar Surface Area: 25.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false