2,3-dimethoxy-5-methylbenzene-1,4-diol

• ChemBase ID: 167500
• Molecular Formular: C9H12O4
• Molecular Mass: 184.18918
• Monoisotopic Mass: 184.07355886
• SMILES: c1(c(c(c(c(c1)C)O)OC)OC)O
• Canonical SMILES: COc1c(O)cc(c(c1OC)O)C
• InChI: InChI=1S/C9H12O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4,10-11H,1-3H3
• InChIKey: DSBZYDDWLLIJJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethoxy-5-methylbenzene-1,4-diol
• IUPAC Traditional name: ubiquinol-0
• Synonyms: 2,3-Dimethoxy-5-methyl-1,4-benzenediol; 2,3-Dimethoxy-5-methylhydroquinone; 2,3-Dimethoxy-5-methyl-1,4-benzohydroquinone; 2,3-Dimethoxy-5-methylbenzohydroquinone; dihydrocoenzyme Q0; Reduced Coenzyme Q0; Ubiquinol 0; 2,3-Dimethoxy-5-methyl-1,4-hydroquinone; 2,3-Dimethoxy-5-methyl-benzene-1,4-diol

Database IDs

• CAS Number: 3066-90-8
• PubChem SID: 162261633
• PubChem CID: 11183027

CALCULATED PROPERTIES

• Acid pKa: 10.405535
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5641887
• LogD (pH = 7.4): 1.563768
• Log P: 1.5641941
• Molar Refractivity: 47.9874 cm^3
• Polarizability: 18.383917 Å^3
• Polar Surface Area: 58.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%

DETAILS

Toronto Research Chemicals - D446610

A substituted p-hydroquinone derivative with antioxidant properties and inhibitory effects in lipid peroxidation. It is a free radical scavenger that can potentially be modified to suppress hydrogen peroxide-induced cytotoxicity and DNA damage in relation

REFERENCES

• Roginsky, V. et al.: Chem. Phys. Lipids, 125, 49 (2003)
• Nakayama, T.: Food. Fact. Cancer Prev., 642 (2003)