(5-phenyl-1H-indol-7-yl)methanol

• ChemBase ID: 53111
• Molecular Formular: C15H13NO
• Molecular Mass: 223.26982
• Monoisotopic Mass: 223.09971404
• SMILES: c1cc2c(c(cc(c2)c2ccccc2)CO)[nH]1
• Canonical SMILES: OCc1cc(cc2c1[nH]cc2)c1ccccc1
• InChI: InChI=1S/C15H13NO/c17-10-14-9-13(11-4-2-1-3-5-11)8-12-6-7-16-15(12)14/h1-9,16-17H,10H2
• InChIKey: QHCOQKSIQMJVDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-phenyl-1H-indol-7-yl)methanol
• IUPAC Traditional name: (5-phenyl-1H-indol-7-yl)methanol
• Synonyms: (5-Phenyl-1H-indol-7-yl)methanol

Database IDs

• MDL Number: MFCD17011866
• PubChem SID: 162057874
• PubChem CID: 49758000

CALCULATED PROPERTIES

• Acid pKa: 15.000631
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.9518833
• LogD (pH = 7.4): 2.9518833
• Log P: 2.9518833
• Molar Refractivity: 69.0966 cm^3
• Polarizability: 29.134668 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%