4-(2-hydroxyphenyl)but-3-en-2-one

The 3-Buten-2-one, 4-(2-hydroxyphenyl)-, with the CAS registry number 6051-53-2, is also known as o-Hydroxystyrylmethyl ketone. Its EINECS registry number is 227-957-9. This chemical's molecular formula is C₁₀H₁₀O₂ and molecular weight is 162.1852. What's more, its systematic name is 4-(2-Hydroxyphenyl)but-3-en-2-one.

Physical properties about 3-Buten-2-one, 4-(2-hydroxyphenyl)- are: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 27.19; (6)ACD/BCF (pH 7.4): 26.94; (7)ACD/KOC (pH 5.5): 370.09; (8)ACD/KOC (pH 7.4): 366.69; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 48.68 cm³; (15)Molar Volume: 142.4 cm³; (16)Polarizability: 19.3×10^-24 cm³; (17)Surface Tension: 45.5 dyne/cm; (18)Density: 1.138 g/cm³; (19)Flash Point: 135.6 °C; (20)Enthalpy of Vaporization: 58.38 kJ/mol; (21)Boiling Point: 319.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000176 mmHg at 25 °C.

Preparation of 3-Buten-2-one, 4-(2-hydroxyphenyl)-: this chemical is prepared by reaction of Propan-2-one with 2-Hydroxy-benzaldehyde at ambient temperature. The reaction needs reagent NaOH and solvent H₂O. The reaction time is 3 days. The yield is about 85 %.

Uses of 3-Buten-2-one, 4-(2-hydroxyphenyl)-: it is used to produce other chemicals. For example, it is used to produce 4-(2-Hydroxy-phenyl)-butan-2-one. This reaction needs reagents Cyclohexane and AlBr₃. The reaction time is 3 hours with reaction temperature of 20 °C. The yield is about 60 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C=Cc1ccccc1O)C
(2) InChI: InChI=1/C10H10O2/c1-8(11)6-7-9-4-2-3-5-10(9)12/h2-7,12H,1H3
(3) InChIKey: OIKUPYQBJLSNAS-UHFFFAOYAO