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108957-72-8

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Basic Information
CAS No.: 108957-72-8
Name: 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxy-phenol
Article Data: 2
Molecular Structure:
Molecular Structure of 108957-72-8 (4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxy-phenol)
Formula: C17H18O4
Molecular Weight: 286.328
Synonyms: Phenol,4-[2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxy-, (E)-;(E)-4-(2-(3,5-Dimethoxyphenyl)ethenyl)-2-methoxyphenol;3,3',5'-Tri-O-methylpiceatannol;NSC-381281;Phenol, 4-(2-(3,5-dimethoxyphenyl)ethenyl)-2-methoxy-, (E)-;
EINECS: 1312995-182-4
Density: 1.177 g/cm3
Boiling Point: 446.7 °C at 760 mmHg
Flash Point: 223.9 °C
Appearance: White, off grey crystal powder
PSA: 47.92000
LogP: 3.58840
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Specification

The Phenol,4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxy- with CAS registry number of 108957-72-8 is also known as (E)-4-(2-(3,5-Dimethoxyphenyl)ethenyl)-2-methoxyphenol. The IUPAC name is 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol. In addition, the formula is C17H18O4 and the molecular weight is 286.32. What's more, this chemical is a white, off grey crystal powder.

Physical properties about Phenol,4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxy- are: (1)ACD/LogP: 3.89; (2)ACD/LogD (pH 5.5): 3.89; (3)ACD/LogD (pH 7.4): 3.89; (4)ACD/BCF (pH 5.5): 534.83; (5)ACD/BCF (pH 7.4): 533.56; (6)ACD/KOC (pH 5.5): 3122.17; (7)ACD/KOC (pH 7.4): 3114.75; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.621; (12)Molar Refractivity: 85.56 cm3; (13)Molar Volume: 243 cm3; (14)Surface Tension: 44.2 dyne/cm; (15)Density: 1.177 g/cm3; (16)Flash Point: 223.9 °C; (17)Enthalpy of Vaporization: 73.2 kJ/mol; (18)Boiling Point: 446.7 °C at 760 mmHg; (19)Vapour Pressure: 1.36E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: Oc1ccc(cc1OC)\C=C\c2cc(OC)cc(OC)c2
2. InChI: InChI=1/C17H18O4/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-16(18)17(10-12)21-3/h4-11,18H,1-3H3/b5-4+
3. InChIKey: QEHTYBCDRGQJGN-SNAWJCMRBW
4. Std. InChI: InChI=1S/C17H18O4/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-16(18)17(10-12)21-3/h4-11,18H,1-3H3/b5-4+
5. Std. InChIKey: QEHTYBCDRGQJGN-SNAWJCMRSA-N