(4-ethoxy-3,5-dimethoxyphenyl)boronic acid

• ChemBase ID: 810369
• Molecular Formular: C10H15BO5
• Molecular Mass: 226.0341
• Monoisotopic Mass: 226.10125398
• SMILES: B(O)(O)c1cc(c(c(c1)OC)OCC)OC
• Canonical SMILES: CCOc1c(OC)cc(cc1OC)B(O)O
• InChI: InChI=1S/C10H15BO5/c1-4-16-10-8(14-2)5-7(11(12)13)6-9(10)15-3/h5-6,12-13H,4H2,1-3H3
• InChIKey: UAUWXLDUIPDAKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-ethoxy-3,5-dimethoxyphenyl)boronic acid
• IUPAC Traditional name: 4-ethoxy-3,5-dimethoxyphenylboronic acid
• Synonyms: (4-ETHOXY-3,5-DIMETHOXYPHENYL)BORONIC ACID

CALCULATED PROPERTIES

• Acid pKa: 8.688487
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.2239202
• LogD (pH = 7.4): 1.202521
• Log P: 1.2242
• Molar Refractivity: 54.7417 cm^3
• Polarizability: 22.964024 Å^3
• Polar Surface Area: 68.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%