[2-(benzyloxy)-4-methoxyphenyl]boronic acid

• ChemBase ID: 803385
• Molecular Formular: C14H15BO4
• Molecular Mass: 258.0775
• Monoisotopic Mass: 258.10633936
• SMILES: B(O)(O)c1c(cc(cc1)OC)OCc1ccccc1
• Canonical SMILES: COc1ccc(c(c1)OCc1ccccc1)B(O)O
• InChI: InChI=1S/C14H15BO4/c1-18-12-7-8-13(15(16)17)14(9-12)19-10-11-5-3-2-4-6-11/h2-9,16-17H,10H2,1H3
• InChIKey: MWWSWTBVVWOEHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(benzyloxy)-4-methoxyphenyl]boronic acid
• IUPAC Traditional name: 2-(benzyloxy)-4-methoxyphenylboronic acid
• Synonyms: [2-(BENZYLOXY)-4-METHOXYPHENYL]BORONIC ACID

Database IDs

• CAS Number: 183474-19-3

CALCULATED PROPERTIES

• Acid pKa: 8.536459
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.910603
• LogD (pH = 7.4): 2.880545
• Log P: 2.911
• Molar Refractivity: 68.1425 cm^3
• Polarizability: 28.158154 Å^3
• Polar Surface Area: 58.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%