2-[4-(4-methoxyphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 297927
• Molecular Formular: C19H23BO3
• Molecular Mass: 310.19512
• Monoisotopic Mass: 310.174025
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(cc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-10-6-14(7-11-16)15-8-12-17(21-5)13-9-15/h6-13H,1-5H3
• InChIKey: XIWRWTPGYBTKPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(4-methoxyphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-[4-(4-methoxyphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(4'-Methoxy-4-biphenylyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 4-(4-Methoxyphenyl)benzeneboronic acid pinacol ester; 4'-Methoxybiphenyl-4-boronic acid pinacol ester; 4-(4-甲氧基联苯基)硼酸频哪醇酯

Database IDs

• MDL Number: MFCD16294530
• PubChem SID: 180683458
• PubChem CID: 71306529

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.3321
• LogD (pH = 7.4): 5.3321
• Log P: 5.3321
• Molar Refractivity: 87.3125 cm^3
• Polarizability: 37.528515 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%