2-[(4-methoxyphenyl)methoxy]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase ID: 797020
• Molecular Formular: C19H24BNO4
• Molecular Mass: 341.20916
• Monoisotopic Mass: 341.17983865
• SMILES: n1c(cc(cc1)B1OC(C(O1)(C)C)(C)C)OCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)COc1nccc(c1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C19H24BNO4/c1-18(2)19(3,4)25-20(24-18)15-10-11-21-17(12-15)23-13-14-6-8-16(22-5)9-7-14/h6-12H,13H2,1-5H3
• InChIKey: CZOSHSREWDHZQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-methoxyphenyl)methoxy]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2-[(4-methoxyphenyl)methoxy]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 2-((4-Methoxybenzyl)oxy)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridine

Database IDs

• CAS Number: 1346708-08-4

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.558297
• LogD (pH = 7.4): 4.5583
• Log P: 4.5583
• Molar Refractivity: 91.4087 cm^3
• Polarizability: 37.730904 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%