The 2,4-Diphenylchroman, with the CAS registry number 55256-25-2, is also known as 2H-1-Benzopyran, 2,3-dihydro-2,4-diphenyl-. This chemical's molecular formula is C21H18O and molecular weight is 286.37. What's more, its systematic name is 2,4-Diphenyl-3,4-dihydro-2H-chromene.
Physical properties of 2,4-Diphenylchroman are: (1)ACD/LogP: 5.76; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.612; (8)Molar Refractivity: 88.92 cm3; (9)Molar Volume: 255.6 cm3; (10)Polarizability: 35.25×10-24 cm3; (11)Surface Tension: 45.7 dyne/cm; (12)Density: 1.12 g/cm3; (13)Flash Point: 206.9 °C; (14)Enthalpy of Vaporization: 64.75 kJ/mol; (15)Boiling Point: 419.9 °C at 760 mmHg; (16)Vapour Pressure: 7.17E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(C2=CC=CC=C2OC1C3=CC=CC=C3)C4=CC=CC=C4
(2)InChI: InChI=1S/C21H18O/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20/h1-14,19,21H,15H2
(3)InChIKey: USXBLIHNVAJTSN-UHFFFAOYSA-N
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