7-methoxyisoquinolin-1-ol

• ChemBase ID: 814372
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: c1(cc2c(cc1)ccnc2O)OC
• Canonical SMILES: COc1ccc2c(c1)c(O)ncc2
• InChI: InChI=1S/C10H9NO2/c1-13-8-3-2-7-4-5-11-10(12)9(7)6-8/h2-6H,1H3,(H,11,12)
• InChIKey: UXAZFUABINHWGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxyisoquinolin-1-ol
• IUPAC Traditional name: 7-methoxyisoquinolin-1-ol
• Synonyms: 7-methoxyisoquinolin-1-ol

Database IDs

• CAS Number: 16027-16-0

CALCULATED PROPERTIES

• Acid pKa: 12.098687
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8782651
• LogD (pH = 7.4): 1.8782624
• Log P: 1.8782711
• Molar Refractivity: 49.1089 cm^3
• Polarizability: 20.07125 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%