[3-(tert-butoxy)phenyl]methanol

• ChemBase ID: 813090
• Molecular Formular: C11H16O2
• Molecular Mass: 180.24354
• Monoisotopic Mass: 180.11502975
• SMILES: C(O)c1cc(ccc1)OC(C)(C)C
• Canonical SMILES: OCc1cccc(c1)OC(C)(C)C
• InChI: InChI=1S/C11H16O2/c1-11(2,3)13-10-6-4-5-9(7-10)8-12/h4-7,12H,8H2,1-3H3
• InChIKey: WYBRDFPJEYSLIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(tert-butoxy)phenyl]methanol
• IUPAC Traditional name: [3-(tert-butoxy)phenyl]methanol
• Synonyms: (3-TERT-BUTOXY-PHENYL)-METHANOL

CALCULATED PROPERTIES

• Acid pKa: 14.937565
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1021845
• LogD (pH = 7.4): 2.1021845
• Log P: 2.1021845
• Molar Refractivity: 53.1427 cm^3
• Polarizability: 20.826548 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%