[dimethoxy(phenyl)methyl]benzene

• ChemBase ID: 301873
• Molecular Formular: C15H16O2
• Molecular Mass: 228.28634
• Monoisotopic Mass: 228.11502975
• SMILES: COC(c1ccccc1)(c1ccccc1)OC
• Canonical SMILES: COC(c1ccccc1)(c1ccccc1)OC
• InChI: InChI=1S/C15H16O2/c1-16-15(17-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
• InChIKey: NYRVXYOKUZSUDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [dimethoxy(phenyl)methyl]benzene
• IUPAC Traditional name: [dimethoxy(phenyl)methyl]benzene
• Synonyms: Benzophenone dimethyl ketal; Dimethoxydiphenylmethane; Benzophenone dimethyl acetal; 苯甲酮二甲基缩酮

Database IDs

• CAS Number: 2235-01-0
• EC Number: 218-788-1
• MDL Number: MFCD00025900
• Beilstein Number: 2051419

CALCULATED PROPERTIES

• LogD (pH = 7.4): 4.086705
• Log P: 4.086705
• Molar Refractivity: 68.1264 cm^3
• Polarizability: 26.833681 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.086705

PROPERTIES

Physical Property

• Melting Point: 104-108°C
• Boiling Point: 290°C

Safety Information

• Storage Warning: Moisture Sensitive
• TSCA Listed: 否

Product Information

• Purity: 98+%

REFERENCES

• Has been used in the presence of tosic acid for the protection of diols as their 2,2-diphenyl-1,3-dioxolanes. The group was selectively cleaved with Li metal in liquid ammonia: Tetrahedron, 51, 5315 (1995).