[2-(cyclopentyloxy)phenyl]boronic acid

• ChemBase ID: 291045
• Molecular Formular: C11H15BO3
• Molecular Mass: 206.046
• Monoisotopic Mass: 206.11142474
• SMILES: OB(c1ccccc1OC1CCCC1)O
• Canonical SMILES: OB(c1ccccc1OC1CCCC1)O
• InChI: InChI=1S/C11H15BO3/c13-12(14)10-7-3-4-8-11(10)15-9-5-1-2-6-9/h3-4,7-9,13-14H,1-2,5-6H2
• InChIKey: WGINBVBPTCTQOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(cyclopentyloxy)phenyl]boronic acid
• IUPAC Traditional name: 2-(cyclopentyloxy)phenylboronic acid
• Synonyms: (2-(Cyclopentyloxy)phenyl)boronic acid

Database IDs

• CAS Number: 1311159-02-0
• PubChem SID: 180676576
• PubChem CID: 43145274

CALCULATED PROPERTIES

• Acid pKa: 8.416597
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.575377
• LogD (pH = 7.4): 2.5361943
• Log P: 2.5759
• Molar Refractivity: 53.4799 cm^3
• Polarizability: 22.687988 Å^3
• Polar Surface Area: 49.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%