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Benzene,1,3-dimethoxy-5-[(1Z)-2-(4-methoxyphenyl)ethenyl]- (94608-23-8)

Identification
Name:Benzene,1,3-dimethoxy-5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-
Synonyms:Benzene,1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethenyl]-, (Z)-;(Z)-1-(4-Methoxyphenyl)-2-(3,5-dimethoxyphenyl)ethene;(Z)-3,5,4'-Trimethoxystilbene; 3,4',5-Trimethoxy-cis-stilbene
CAS:94608-23-8
Molecular Formula: C17H18 O3
Molecular Weight: 270.32
InChI: InChI=1/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4-
Molecular Structure: (C17H18O3) Benzene,1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethenyl]-, (Z)-;(Z)-1-(4-Methoxyphenyl)-2-(3,5-dimethoxy...
Properties
Flash Point: 144.358°C
Boiling Point: 423.774°C at 760 mmHg
Density:1.105g/cm3
Refractive index:1.6
Specification:

The systematic name of cis-Trismethoxy Resveratrol is 1,3-Dimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene. With the CAS registry number 94608-23-8, it is also named as (Z)-3,5,4'-Trimethoxystilbene. In addition, its molecular formula is C17H18O3 and its molecular weight is 270.32. 

The other characteristics of cis-Trismethoxy Resveratrol can be summarized as: (1)ACD/LogP: 4.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 1875; (6)ACD/BCF (pH 7.4): 1875; (7)ACD/KOC (pH 5.5): 7664; (8)ACD/KOC (pH 7.4): 7664; (9)H bond acceptors: 3; (10)H bond donors: 0; (11)Freely Rotating Bonds: 5; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 83.682 cm3; (15)Molar Volume: 244.648 cm3; (16)Polarizability: 33.174×10-24cm3 ; (17)Surface Tension: 39.152 dyne/cm; (18)Density: 1.105 g/cm3; (19)Flash Point: 144.358 °C; (20)Enthalpy of Vaporization: 65.19 kJ/mol; (21)Boiling Point: 423.774 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O(c1cc(cc(OC)c1)/C=C\c2ccc(OC)cc2)C
(2)InChI:InChI=1/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4-
(3)InChIKey:GDHNBPHYVRHYCC-PLNGDYQABX
(4)Std. InChI:InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4-
(5)Std. InChIKey:GDHNBPHYVRHYCC-PLNGDYQASA-N

Flash Point: 144.358°C
Safety Data
 

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