2-(4-Methoxyphenyl)cyclohexa-2,5-diene-1,4-dione

This chemical is called 2-(4-Methoxyphenyl)cyclohexa-2,5-diene-1,4-dione, and it's also named as 2,5-Cyclohexadiene-1,4-dione, 2-(4-methoxyphenyl)-. With the molecular formula of C₁₃H₁₀O₃, its molecular weight is 214.2167. The CAS registry number of this chemical is 30100-35-7.

Other characteristics of the 2-(4-Methoxyphenyl)cyclohexa-2,5-diene-1,4-dione can be summarised as followings: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 40.04; (6)ACD/BCF (pH 7.4): 40.04; (7)ACD/KOC (pH 5.5): 488.27; (8)ACD/KOC (pH 7.4): 488.27; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 58.25 cm³; (15)Molar Volume: 172.2 cm³; (16)Polarizability: 23.09×10^-24cm³; (17)Surface Tension: 48.7 dyne/cm; (18)Density: 1.243 g/cm³; (19)Flash Point: 166.4 °C; (20)Enthalpy of Vaporization: 61.77 kJ/mol; (21)Boiling Point: 370.8 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-05 mmHg at 25°C.

Production method of this chemical: The 2-(4-Methoxyphenyl)cyclohexa-2,5-diene-1,4-dione could be obtained by the reactants of 4-methoxy-aniline and [1,4]benzoquinone. This reaction needs the reagents of HCl, NaNO₂, and the solvent of dimethylformamide. The yield is 90 %.

Uses of this chemical: The 2-(4-Methoxyphenyl)cyclohexa-2,5-diene-1,4-dione could react with acetic acid anhydride to obtain the acetic acid 5-acetoxy-4'-methoxy-biphenyl-2-yl ester. This reaction needs the reagent of Zn. The yield is 65 %.

You can still convert the following datas into molecular structure:
1.SMILES: O=C2/C=C\C(=O)\C=C2\c1ccc(OC)cc1
2.InChI: InChI=1/C13H10O3/c1-16-11-5-2-9(3-6-11)12-8-10(14)4-7-13(12)15/h2-8H,1H3
3.InChIKey: LMZUGHSRDZORTH-UHFFFAOYAU