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73343-67-6

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Basic Information
CAS No.: 73343-67-6
Name: (4-methoxyphenyl)[2-(2,4,6-trimethylphenyl)-1-benzofuran-3-yl]methanone
Molecular Structure:
Molecular Structure of 73343-67-6 ((4-methoxyphenyl)[2-(2,4,6-trimethylphenyl)-1-benzofuran-3-yl]methanone)
Formula: C25H22O3
Molecular Weight: 370.47
Synonyms: (4-methoxyphenyl)-[2-(2,4,6-trimethylphenyl)benzofuran-3-yl]methanone;Methanone, (4-methoxyphenyl)(2-(2,4,6-trimethylphenyl)-3-benzofuranyl)-;Benzofuran, 2-mesityl-3-(p-anisoyl)-;Benzofuran, 2-mesityl-3-(p-methoxybenzoyl)-;KETONE, 2-MESITYL-3-BENZOFURANYL p-METHOXYPHENYL;(4-Methoxyphenyl)(2-(2,4,6-trimethylphenyl)-3-benzofuranyl)methanone;2-Mesitylbenzofuran-3-yl (p-methoxyphenyl) ketone;(4-METHOXY PHENYL)(2-(2,4,6-TRIMETHYLPHENYL)-3-BENZOFURANYL) METHANONE;
Density: 1.148 g/cm3
Boiling Point: 532.3 °C at 760 mmHg
Flash Point: 275.7 °C
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Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

The 3-Anisoyl-2-Mesitylbenzofuran, with the CAS registry number 73343-67-6, has the systematic name and IUPAC name of (4-methoxyphenyl)[2-(2,4,6-trimethylphenyl)-1-benzofuran-3-yl]methanone. And the molecular formula of the chemical is C25H22O3.

The characteristics of 3-Anisoyl-2-Mesitylbenzofuran are as followings: (1)ACD/LogP: 6.82; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.82; (4)ACD/LogD (pH 7.4): 6.82; (5)ACD/BCF (pH 5.5): 89947.59; (6)ACD/BCF (pH 7.4): 89947.59; (7)ACD/KOC (pH 5.5): 122361.57; (8)ACD/KOC (pH 7.4): 122361.57; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 39.44 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 111.93 cm3; (15)Molar Volume: 322.5 cm3; (16)Polarizability: 44.37×10-24cm3; (17)Surface Tension: 43.3 dyne/cm; (18)Density: 1.148 g/cm3; (19)Flash Point: 275.7 °C; (20)Enthalpy of Vaporization: 80.8 kJ/mol; (21)Boiling Point: 532.3 °C at 760 mmHg; (22)Vapour Pressure: 2.07E-11 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1c3ccccc3oc1c2c(cc(cc2C)C)C)c4ccc(OC)cc4
(2)InChI: InChI=1/C25H22O3/c1-15-13-16(2)22(17(3)14-15)25-23(20-7-5-6-8-21(20)28-25)24(26)18-9-11-19(27-4)12-10-18/h5-14H,1-4H3
(3)InChIKey: OEPBILCIHPPHHM-UHFFFAOYAL

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 2gm/kg (2000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 14, Pg. 517, 1979.