1H-indol-7-ylmethanol

• ChemBase ID: 74781
• Molecular Formular: C9H9NO
• Molecular Mass: 147.17386
• Monoisotopic Mass: 147.06841391
• SMILES: [nH]1ccc2cccc(c12)CO
• Canonical SMILES: OCc1cccc2c1[nH]cc2
• InChI: InChI=1S/C9H9NO/c11-6-8-3-1-2-7-4-5-10-9(7)8/h1-5,10-11H,6H2
• InChIKey: UBJBKRMNBMMMHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indol-7-ylmethanol; (1H-indol-7-yl)methanol
• IUPAC Traditional name: 1H-indol-7-ylmethanol
• Synonyms: (1H-Indol-7-yl)methanol; 7-(Hydroxymethyl)-1H-indole 97%; (1H-Indol-7-yl)methanol; INDOLE-7-METHANOL

Database IDs

• CAS Number: 1074-87-9
• MDL Number: MFCD02179597
• PubChem SID: 162039699
• PubChem CID: 2773460

CALCULATED PROPERTIES

• Acid pKa: 15.043237
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.304658
• LogD (pH = 7.4): 1.304658
• Log P: 1.304658
• Molar Refractivity: 43.9604 cm^3
• Polarizability: 18.035099 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 44-48°C

Safety Information

• Storage Warning: Irritant/Keep Cold

Product Information

• Purity: 95+%; 98%