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

• ChemBase ID: 242113
• Molecular Formular: C15H23BO3
• Molecular Mass: 262.15232
• Monoisotopic Mass: 262.174025
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1cc(ccc1)CCOC
• Canonical SMILES: COCCc1cccc(c1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C15H23BO3/c1-14(2)15(3,4)19-16(18-14)13-8-6-7-12(11-13)9-10-17-5/h6-8,11H,9-10H2,1-5H3
• InChIKey: HIYMIUPAKODMLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(2-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-[3-(2-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-[3-(2-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Database IDs

• MDL Number: MFCD18733934
• PubChem SID: 164298023
• PubChem CID: 71756944

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8951
• LogD (pH = 7.4): 3.8951
• Log P: 3.8951
• Molar Refractivity: 72.0352 cm^3
• Polarizability: 30.140121 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.577

Product Information

• Purity: 95%