2,3-dihydro-1H-indol-6-ylmethanol

• ChemBase ID: 244123
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: c12NCCc1ccc(c2)CO
• Canonical SMILES: OCc1ccc2c(c1)NCC2
• InChI: InChI=1S/C9H11NO/c11-6-7-1-2-8-3-4-10-9(8)5-7/h1-2,5,10-11H,3-4,6H2
• InChIKey: ASGMIPKABNEUSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-indol-6-ylmethanol
• IUPAC Traditional name: 2,3-dihydro-1H-indol-6-ylmethanol
• Synonyms: 2,3-dihydro-1H-indol-6-ylmethanol

Database IDs

• MDL Number: MFCD03095264
• PubChem SID: 164300033
• PubChem CID: 20666213

CALCULATED PROPERTIES

• Acid pKa: 15.135066
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.6835164
• LogD (pH = 7.4): 0.7181033
• Log P: 0.71856266
• Molar Refractivity: 46.3773 cm^3
• Polarizability: 16.797216 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 - 51°C
• Hydrophobicity(logP): 0.738

Product Information

• Purity: 95%