2',4'-dihydroxybutyrophenone

The CAS register number of 2',4'-Dihydroxybutyrophenone is 4390-92-5. It also can be called as 1-Butanone,1-(2,4-dihydroxyphenyl)- and the IUPAC name about this chemical is 1-(2,4-dihydroxyphenyl)butan-1-one. The molecular formula about this chemical is C₁₀H₁₂O₃ and the molecular weight is 180.20.

Physical properties about 2',4'-Dihydroxybutyrophenone are: (1)ACD/LogP: 2.80; (2)ACD/LogD (pH 5.5): 2.8; (3)ACD/LogD (pH 7.4): 2.54; (4)ACD/BCF (pH 5.5): 78.53; (5)ACD/BCF (pH 7.4): 43.39; (6)ACD/KOC (pH 5.5): 788.56; (7)ACD/KOC (pH 7.4): 435.65; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 35.53Ų; (12)Index of Refraction: 1.567; (13)Molar Refractivity: 49.3 cm³; (14)Molar Volume: 150.8 cm³; (15)Polarizability: 19.54x10^-24cm³; (16)Surface Tension: 50.4 dyne/cm; (17)Enthalpy of Vaporization: 60.49 kJ/mol; (18)Boiling Point: 338.5 °C at 760 mmHg; (19)Vapour Pressure: 5E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by butyryl chloride and benzene-1,3-diol. This reaction will need reagent AlCl₃ and solvent 1,2-dichloro-ethane. The reaction time is 5 hour(s) with reaction temperature of 65 ℃.

Uses of 2',4'-Dihydroxybutyrophenone: it can be used to produce 4-butyl-resorcinol. This reaction will need reagent amalgamated zinc, hydrochloric acid.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(O)cc1O)CCC
(2)InChI: InChI=1/C10H12O3/c1-2-3-9(12)8-5-4-7(11)6-10(8)13/h4-6,11,13H,2-3H2,1H3
(3)InChIKey: IWADIQGGJLCBRK-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H12O3/c1-2-3-9(12)8-5-4-7(11)6-10(8)13/h4-6,11,13H,2-3H2,1H3
(5)Std. InChIKey: IWADIQGGJLCBRK-UHFFFAOYSA-N