The 6-Methoxy-2-(4-methoxyphenyl)benzo[bithiophene], with the CAS registry number 4390-94-7, is also known as NSC63378. This chemical's molecular formula is C18H20O3 and molecular weight is 284.141245. Its IUPAC name is called 1,2-bis(4-methoxyphenyl)butan-1-one.
Physical properties of 6-Methoxy-2-(4-methoxyphenyl)benzo[bithiophene]: (1)ACD/LogP: 4.05; (2)#H bond acceptors: 3; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 6; (5)Index of Refraction: 1.545; (6)Molar Refractivity: 83.39 cm3; (7)Molar Volume: 263.4 cm3; (8)Surface Tension: 38.4 dyne/cm; (9)Density: 1.079 g/cm3; (10)Flash Point: 204.5 °C; (11)Enthalpy of Vaporization: 68.32 kJ/mol; (12)Boiling Point: 428.1 °C at 760 mmHg; (13)Vapour Pressure: 1.56E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)OC
(2)InChI: InChI=1S/C18H20O3/c1-4-17(13-5-9-15(20-2)10-6-13)18(19)14-7-11-16(21-3)12-8-14/h5-12,17H,4H2,1-3H3
(3)InChIKey: PBHOMCCEZCLALM-UHFFFAOYSA-N
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