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The 2H-[1]Benzopyrano[4,3-c]pyridin-10-ol,8-[4-(4-fluorophenyl)-1-methylbutyl]-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propyn-1-yl)-, with the CAS registry number 52763-30-1, is also known as 5,5-Dimethyl-8-[4-(4-fluorophenyl)-1-methylbutyl]-2-(2-propynyl)-1,3,4,5-tetrahydro-2H-[1]benzopyrano[4,3-c]pyridin-10-ol. This chemical's molecular formula is C28H32FNO2 and molecular weight is 433.24. What's more, its systematic name is 8-[5-(4-Fluorophenyl)-2-pentanyl]-5,5-dimethyl-2-(2-propyn-1-yl)-1,3,4,5-tetrahydro-2H-chromeno[4,3-c]pyridin-10-ol.
Physical properties of 2H-[1]Benzopyrano[4,3-c]pyridin-10-ol,8-[4-(4-fluorophenyl)-1-methylbutyl]-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propyn-1-yl)- are: (1)ACD/LogP: 8.324; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.85; (4)ACD/LogD (pH 7.4): 8.31; (5)ACD/BCF (pH 5.5): 417838.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 269150.70; (8)ACD/KOC (pH 7.4): 782052.90; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 32.7 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 125.965 cm3; (15)Molar Volume: 364.866 cm3; (16)Polarizability: 49.936×10-24cm3; (17)Surface Tension: 51.8489990234375 dyne/cm; (18)Density: 1.188 g/cm3; (19)Flash Point: 297.526 °C; (20)Enthalpy of Vaporization: 88.466 kJ/mol; (21)Boiling Point: 568.347 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)CCCC(c3cc2OC(C\4=C(/c2c(O)c3)CN(CC/4)CC#C)(C)C)C
(2)Std. InChI: InChI=1S/C28H32FNO2/c1-5-14-30-15-13-24-23(18-30)27-25(31)16-21(17-26(27)32-28(24,3)4)19(2)7-6-8-20-9-11-22(29)12-10-20/h1,9-12,16-17,19,31H,6-8,13-15,18H2,2-4H3
(3)Std. InChIKey: UIDOJGIFVOOMLY-UHFFFAOYSA-N