2-methyl-1-phenoxypropan-2-ol

• ChemBase ID: 274293
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: C(COc1ccccc1)(O)(C)C
• Canonical SMILES: CC(COc1ccccc1)(O)C
• InChI: InChI=1S/C10H14O2/c1-10(2,11)8-12-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
• InChIKey: AVDVAVVYHMRVBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-phenoxypropan-2-ol
• IUPAC Traditional name: 2-methyl-1-phenoxypropan-2-ol
• Synonyms: 2-methyl-1-phenoxypropan-2-ol

Database IDs

• MDL Number: MFCD12802474
• PubChem SID: 164330203
• PubChem CID: 10374790

CALCULATED PROPERTIES

• Acid pKa: 14.59326
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8226242
• LogD (pH = 7.4): 1.8226242
• Log P: 1.8226242
• Molar Refractivity: 47.8705 cm^3
• Polarizability: 18.989687 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.896

Product Information

• Purity: 95%