5-methoxy-2-(4-methoxyphenyl)-2H-indazole

• ChemBase ID: 796041
• Molecular Formular: C15H14N2O2
• Molecular Mass: 254.28386
• Monoisotopic Mass: 254.1055277
• SMILES: c1n(nc2ccc(cc12)OC)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)n1cc2c(n1)ccc(c2)OC
• InChI: InChI=1S/C15H14N2O2/c1-18-13-5-3-12(4-6-13)17-10-11-9-14(19-2)7-8-15(11)16-17/h3-10H,1-2H3
• InChIKey: YKFVNNMSHZEIDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-(4-methoxyphenyl)-2H-indazole
• IUPAC Traditional name: 5-methoxy-2-(4-methoxyphenyl)indazole
• Synonyms: 5-methoxy-2-(4-methoxyphenyl)-2H-indazole

Database IDs

• CAS Number: 120455-06-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.119037
• LogD (pH = 7.4): 3.1190488
• Log P: 3.1190488
• Molar Refractivity: 73.4243 cm^3
• Polarizability: 29.988674 Å^3
• Polar Surface Area: 36.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%