The 2,2-Methylenebis(6-(1-phenylethyl)-p-cresol), with the CAS registry number of 26292-69-3, is also known as Phenol,2,2'-methylenebis[4-methyl-6-(1-phenylethyl)-. Its EINECS registry number is 247-589-2. This chemical's molecular formula is C31H32O2 and molecular weight is 436.58458. Its systematic name is called 2-[[2-hydroxy-5-methyl-3-(1-phenylethyl)phenyl]methyl]-4-methyl-6-(1-phenylethyl)phenol.
Physical properties about this chemical are: (1)ACD/LogP: 8.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.33; (4)ACD/LogD (pH 7.4): 8.33; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 8; (8)Index of Refraction: 1.616; (9)Molar Refractivity: 136.88 cm3; (10)Molar Volume: 391.5 cm3; (11)Surface Tension: 46.5 dyne/cm; (12)Density: 1.114 g/cm3; (13)Flash Point: 244.2 °C; (14)Enthalpy of Vaporization: 89.56 kJ/mol; (15)Boiling Point: 576.8 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(c3cc(C)cc(Cc2cc(C)cc(C(C)c1ccccc1)c2O)c3O)c4ccccc4
(2)InChI: InChI=1/C31H32O2/c1-20-15-26(30(32)28(17-20)22(3)24-11-7-5-8-12-24)19-27-16-21(2)18-29(31(27)33)23(4)25-13-9-6-10-14-25/h5-18,22-23,32-33H,19H2,1-H3
(3)InChIKey: CKARBJATRQVWJP-UHFFFAOYAD
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