2-Azetidinone,3-hydroxy-1-(4-methoxyphenyl)-4-phenyl- (194234-97-4)

The 3-Hydroxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one, with the CAS registry number 194234-97-4, is also called 2-azetidinone, 3-hydroxy-1-(4-methoxyphenyl)-4-phenyl-. And the molecular formula of the chemical is C₁₆H₁₅NO₃.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 10.73; (6)ACD/BCF (pH 7.4): 10.73; (7)ACD/KOC (pH 5.5): 190.3; (8)ACD/KOC (pH 7.4): 190.3; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 74.68 cm³; (15)Molar Volume: 207.8 cm³; (16)Polarizability: 29.6×10^-24cm³; (17)Surface Tension: 56.9 dyne/cm; (18)Density: 1.295 g/cm³; (19)Flash Point: 287.2 °C; (20)Enthalpy of Vaporization: 87.51 kJ/mol; (21)Boiling Point: 551.3 °C at 760 mmHg; (22)Vapour Pressure: 5.47E-13 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COc1ccc(cc1)N3C(=O)C(O)C3c2ccccc2
(2)InChI: InChI=1/C16H15NO3/c1-20-13-9-7-12(8-10-13)17-14(15(18)16(17)19)11-5-3-2-4-6-11/h2-10,14-15,18H,1H3
(3)InChIKey: FTOHXQPVCMMHRO-UHFFFAOYAL