-
Name
1-Butanone, 1- (4-methoxyphenyl)-2-[(4-methoxyphenyl)methylene]-
- EINECS
- CAS No. 90-92-6
- Density 1.095g/cm3
- Solubility
- Melting Point
- Formula C19H20O3
- Boiling Point 460.3 °C at 760 mmHg
- Molecular Weight 296.366
- Flash Point 224.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Chalcone, a-ethyl-4,4'-dimethoxy- (6CI,8CI);NSC 6848;a-Ethyl-4,4'-dimethoxychalcone;
- PSA 35.53000
- LogP 4.38010
1-Butanone,1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylene]- Specification
The 1-Butanone,1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylene]-, with CAS registry number 90-92-6, has the systematic name of (2E)-1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]butan-1-one. And its IUPAC name is the same one. What's more, the chemical formula of this chemical is C19H20O3.
Physical properties of 1-Butanone,1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylene]-: (1)ACD/LogP: 5.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.21; (4)ACD/LogD (pH 7.4): 5.21; (5)ACD/BCF (pH 5.5): 5352.14; (6)ACD/BCF (pH 7.4): 5352.14; (7)ACD/KOC (pH 5.5): 16235.76; (8)ACD/KOC (pH 7.4): 16235.76; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 89.57 cm3; (15)Molar Volume: 270.6 cm3; (16)Polarizability: 35.5×10-24cm3; (17)Surface Tension: 39.8 dyne/cm; (18)Enthalpy of Vaporization: 72.1 kJ/mol; (19)Vapour Pressure: 1.17E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(OC)cc1)\C(=C\c2ccc(OC)cc2)CC
(2)InChI: InChI=1/C19H20O3/c1-4-15(13-14-5-9-17(21-2)10-6-14)19(20)16-7-11-18(22-3)12-8-16/h5-13H,4H2,1-3H3/b15-13+
(3)InChIKey: RIAYGXNEKYIZQL-FYWRMAATBO
(4)Std. InChI: InChI=1S/C19H20O3/c1-4-15(13-14-5-9-17(21-2)10-6-14)19(20)16-7-11-18(22-3)12-8-16/h5-13H,4H2,1-3H3/b15-13+
(5)Std. InChIKey: RIAYGXNEKYIZQL-FYWRMAATSA-N
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