(methoxydiphenylmethyl)benzene

• ChemBase ID: 152363
• Molecular Formular: C20H18O
• Molecular Mass: 274.35632
• Monoisotopic Mass: 274.1357652
• SMILES: COC(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: COC(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H18O/c1-21-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
• InChIKey: IRMNIXXVOOMKKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (methoxydiphenylmethyl)benzene
• IUPAC Traditional name: (methoxydiphenylmethyl)benzene
• Synonyms: Methyl trityl ether; Trityl methyl ether; Methyl triphenylmethyl ether; 1,1',1''-(Methoxymethylidyne)trisbenzene; Methoxytriphenylmethane; NSC 64; Triphenylmethyl Methyl Ether; Methyl Triphenylmethyl Ether; 三苯甲基甲基醚; 甲基三苯甲基醚; 甲基三苯基甲基醚

Database IDs

• CAS Number: 596-31-6
• MDL Number: MFCD00014907
• Beilstein Number: 1914067
• PubChem SID: 24885940; 162246508
• PubChem CID: 136388

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.2815046
• LogD (pH = 7.4): 5.2815046
• Log P: 5.2815046
• Molar Refractivity: 88.0627 cm^3
• Polarizability: 33.98323 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: White Solid
• Melting Point: 81-83 °C; 81-83°C

Safety Information

• Storage Condition: Refrigerator
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0% (HPLC)
• Linear Formula: (C6H5)3COCH3

DETAILS

Sigma Aldrich - 69493

Packaging
5 g in glass bottle

Toronto Research Chemicals - M330975

A trityl-cysteine analog as inhibitor of human mitotic kinesin.

REFERENCES

• Mayer, T., et al.: Science, 286, 971 (1999)
• Nakazawa, J., et al.: Chem. Biol., 10, 131 (1999)
• Sakowicz, R., et al.: Cancer Res., 64, 3276 (1999)
• Tao, W., et al.: Cancer, Cell., 8, 49 (1999)