1-methoxy-2-phenylpropan-2-ol

• ChemBase ID: 286497
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: C(c1ccccc1)(O)(COC)C
• Canonical SMILES: COCC(c1ccccc1)(O)C
• InChI: InChI=1S/C10H14O2/c1-10(11,8-12-2)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
• InChIKey: HCJQMIPDMWDJJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-2-phenylpropan-2-ol
• IUPAC Traditional name: 1-methoxy-2-phenylpropan-2-ol
• Synonyms: 1-methoxy-2-phenylpropan-2-ol

Database IDs

• MDL Number: MFCD16787658
• PubChem SID: 180672028
• PubChem CID: 13512556

CALCULATED PROPERTIES

• Acid pKa: 13.553991
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4992642
• LogD (pH = 7.4): 1.499264
• Log P: 1.4992642
• Molar Refractivity: 48.2258 cm^3
• Polarizability: 18.999243 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.363

Product Information

• Purity: 95%