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

• ChemBase ID: 810494
• Molecular Formular: C20H25BO4
• Molecular Mass: 340.2211
• Monoisotopic Mass: 340.18458968
• SMILES: CC1(C)OB(OC1(C)C)c1cc(c(cc1)OCc1ccccc1)OC
• Canonical SMILES: COc1cc(ccc1OCc1ccccc1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C20H25BO4/c1-19(2)20(3,4)25-21(24-19)16-11-12-17(18(13-16)22-5)23-14-15-9-7-6-8-10-15/h6-13H,14H2,1-5H3
• InChIKey: AZHNNODKZBIADS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(benzyloxy)-3-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-[4-(benzyloxy)-3-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 4-(BENZYLOXY)-3-METHOXYPHENYLBORONIC ACID, PINACOL ESTER

Database IDs

• CAS Number: 1000796-87-1

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.1716
• LogD (pH = 7.4): 5.1716
• Log P: 5.1716
• Molar Refractivity: 93.2521 cm^3
• Polarizability: 38.630924 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%