The 9H-Xanthen-9-one,1-hydroxy-3,4,7-trimethoxy- with CAS registry number of 20848-59-3 is also called Xanthen-9-one,1-hydroxy-3,4,7-trimethoxy-(8Cl). The IUPAC name is 1-hydroxy-3,4,7-trimethoxy-xanthen-9-one. In addition, the formula is C₁₆H₁₄O₆ and the molecular weight is 302.2788.

Physical properties about this chemical are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.154; (4)ACD/LogD (pH 7.4): 2.779; (5)ACD/BCF (pH 5.5): 146.32; (6)ACD/BCF (pH 7.4): 61.697; (7)ACD/KOC (pH 5.5): 1228.44; (8)ACD/KOC (pH 7.4): 517.983; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 74.22 Å²; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 77.449 cm³; (15)Molar Volume: 224.049 cm³; (16)Polarizability: 30.703 ×10^-24cm³; (17)Surface Tension: 51.778 dyne/cm; (18)Density: 1.349 g/cm³; (19)Flash Point: 193.579 °C; (20)Enthalpy of Vaporization: 81.463 kJ/mol; (21)Boiling Point: 513.547 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation of 9H-Xanthen-9-one,1-hydroxy-3,4,7-trimethoxy-: it can be prepared by sulfuric acid dimethyl ester and 1,4-dihydroxy-3,7-dimethoxy-xanthen-9-one. The other product is 1,3,4,7-tetramethoxy-xanthen-9-one. This reaction will need reagent K₂CO₃ and solvent acetone. The yield is about 75% with the reaction time of 2 hours.



You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2c(c1)c(=O)c3c(cc(c(c3o2)OC)OC)O
(2)InChI: InChI=1/C16H14O6/c1-19-8-4-5-11-9(6-8)14(18)13-10(17)7-12(20-2)15(21-3)16(13)22-11/h4-7,17H,1-3H3
(3)InChIKey: CRKCWCHNFLHTJY-UHFFFAOYAF