2-HYDROXY-4-METHOXY-4'-METHYLBENZOPHENONE

The IUPAC name of Mexenone is (2-Hydroxy-4-methoxyphenyl)-(4-methylphenyl)methanone. With the CAS registry number 1641-17-4, it is also named as Methanone, (2-hydroxy-4-methoxyphenyl)(4-methylphenyl)-. The product's category is Aromatic Benzophenones & Derivatives. Besides, it is white or yellow powder, which should be stored in closed, cool and dry place. In addition, its molecular formula is C₁₅H₁₄O₃ and molecular weight is 242.27.

The other characteristics of this product can be summarized as: (1)EINECS: 216-688-2; (2)ACD/LogP: 4.10; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 4.09; (5)ACD/LogD (pH 7.4): 3.78; (6)ACD/BCF (pH 5.5): 759.31; (7)ACD/BCF (pH 7.4): 364.06; (8)ACD/KOC (pH 5.5): 3996.52; (9)ACD/KOC (pH 7.4): 1916.17; (10)H bond acceptors: 3; (11)H bond donors: 1; (12)Freely Rotating Bonds: 4; (13)Polar Surface Area: 35.53 Å²; (14)Index of Refraction: 1.588; (15)Molar Refractivity: 69.43 cm³; (16)Molar Volume: 206.2 cm³; (17)Polarizability: 27.52×10^-24cm³; (18)Surface Tension: 45.6 dyne/cm; (19)Density: 1.174 g/cm³; (20)Flash Point: 150.2 °C; (21)Melting Point: 99-102 °C; (22)Enthalpy of Vaporization: 67.63 kJ/mol; (23)Boiling Point: 400.1 °C at 760 mmHg; (24)Vapour Pressure: 5.65E-07 mmHg at 25 °C.

Preparation of Mexenone: this chemical can be prepared by 4-Methyl-benzoyl chloride and 3-Methoxy-phenol.



This reaction needs BCl₃ and Benzene by heating. The reaction time is 10 hours. The yield is 80 %.

When you are using this chemical, please be cautious about it as the following: Mexenone is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(c1ccc(OC)cc1O)c2ccc(cc2)C
(2)InChI:InChI=1/C15H14O3/c1-10-3-5-11(6-4-10)15(17)13-8-7-12(18-2)9-14(13)16/h3-9,16H,1-2H3
(3)InChIKey:MJVGBKJNTFCUJM-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C15H14O3/c1-10-3-5-11(6-4-10)15(17)13-8-7-12(18-2)9-14(13)16/h3-9,16H,1-2H3
(5)Std. InChIKey:MJVGBKJNTFCUJM-UHFFFAOYSA-N