4-HYDROXYCHALCONE

The CAS register number of 2-Propen-1-one,3-(4-hydroxyphenyl)-1-phenyl- is 20426-12-4. It also can be called as 4-Hydroxychalcone and the IUPAC name about this chemical is (E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one. The molecular formula about this chemical is C₁₅H₁₂O₂ and the molecular weight is 224.25. It belongs to the following product categories which include Aromatic Acetophenones & Derivatives (substituted); Biochemistry; Flavonoids and so on.

Physical properties about 2-Propen-1-one,3-(4-hydroxyphenyl)-1-phenyl- are: (1)ACD/LogP: 3.48; (2)ACD/LogD (pH 5.5): 3.48; (3)ACD/LogD (pH 7.4): 3.48; (4)ACD/BCF (pH 5.5): 258.5; (5)ACD/BCF (pH 7.4): 257.38; (6)ACD/KOC (pH 5.5): 1855.39; (7)ACD/KOC (pH 7.4): 1847.4; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.653; (13)Molar Refractivity: 68.99 cm³; (14)Molar Volume: 188.2 cm³; (15)Polarizability: 27.34x10^-24cm³; (16)Surface Tension: 52.1 dyne/cm; (17)Enthalpy of Vaporization: 67.01 kJ/mol; (18)Boiling Point: 394.9 °C at 760 mmHg; (19)Vapour Pressure: 8.41E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-hydroxy-benzaldehyde and 1-phenyl-ethanone. This reaction will need reagent aq. KOH.

Uses of 2-Propen-1-one,3-(4-hydroxyphenyl)-1-phenyl-: it can be used to produce 3-(4-hydroxy-phenyl)-1-phenyl-propan-1-one. This reaction will need reagent H₂, catalyst dichlorobis(benzylcyano)palladium(II) and solvent benzene with reaction time of 8 hours. The yield is about 83%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(/C=C/c1ccc(O)cc1)c2ccccc2
(2)InChI: InChI=1/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H/b11-8+
(3)InChIKey: PWWCDTYUYPOAIU-DHZHZOJOBM
(4)Std. InChI: InChI=1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H/b11-8+
(5)Std. InChIKey: PWWCDTYUYPOAIU-DHZHZOJOSA-N