1-[(4-methoxyphenyl)methoxy]-2-methylpropan-2-ol

• ChemBase ID: 173984
• Molecular Formular: C12H18O3
• Molecular Mass: 210.26952
• Monoisotopic Mass: 210.12559444
• SMILES: c1c(ccc(c1)COCC(O)(C)C)OC
• Canonical SMILES: COc1ccc(cc1)COCC(O)(C)C
• InChI: InChI=1S/C12H18O3/c1-12(2,13)9-15-8-10-4-6-11(14-3)7-5-10/h4-7,13H,8-9H2,1-3H3
• InChIKey: RAUIDOHDUZTJII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(4-methoxyphenyl)methoxy]-2-methylpropan-2-ol
• IUPAC Traditional name: 1-[(4-methoxyphenyl)methoxy]-2-methylpropan-2-ol
• Synonyms: 1-[(4-Methoxybenzyl)oxy]-2-methylpropan-2-ol; 1-[(4-Methoxyphenyl)methoxy]-2-methyl-2-propanol; 2-Methyl-1-(4-methoxyphenyl)methoxy-2-propanol

Database IDs

• CAS Number: 154044-75-4
• PubChem SID: 164229894
• PubChem CID: 13560123

CALCULATED PROPERTIES

• Acid pKa: 14.611539
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.698401
• LogD (pH = 7.4): 1.698401
• Log P: 1.698401
• Molar Refractivity: 59.4376 cm^3
• Polarizability: 23.357502 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate; Methanol
• Apperance: Colourless Oil

Safety Information

• Storage Condition: Refrigerator