3,5-Heptanedione,1,7-bis(4-hydroxy-3-methoxyphenyl)- (36062-04-1)

The IUPAC name of 1,7-Bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione is 1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione. With the CAS registry number 36062-04-1, it is also named as Tetrahydrocurcumin. The product's molecular formula is C₂₁H₂₄O₆ and its molecular weight is 372.41. 

The other characteristics of 1,7-Bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione can be summarized as: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.27; (6)ACD/BCF (pH 7.4): 23.76; (7)ACD/KOC (pH 5.5): 341.2; (8)ACD/KOC (pH 7.4): 334.07; (9)H bond acceptors: 6; (10)H bond donors: 2; (11)Freely Rotating Bonds: 12; (12)Polar Surface Area: 71.06 Å²; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 100.63 cm³; (15)Molar Volume: 304.5 cm³; (16)Polarizability: 39.89×10^-24cm³; (17)Surface Tension: 49.6 dyne/cm; (18)Density: 1.222 g/cm³; (19)Flash Point: 196.2 °C; (20)Melting point: 95-97 °C; (21)Enthalpy of Vaporization: 87.91 kJ/mol; (22)Boiling Point: 564.1 °C at 760 mmHg; (23) Vapour Pressure: 2.5E-13 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
SMILES:O=C(CCc1ccc(O)c(OC)c1)CC(=O)CCc2cc(OC)c(O)cc2
InChI:InChI=1/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3
InChIKey:LBTVHXHERHESKG-UHFFFAOYAG
Std. InChI:InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3
Std. InChIKey:LBTVHXHERHESKG-UHFFFAOYSA-N