Ethanone,1-(4-hydroxy-3,5-dimethylphenyl)- (5325-04-2)

This chemical is called 3,5-Dimethyl-4-hydroxyacetophenone, and it can also be named as 4'-hydroxy-3',5'-dimethylacetophenone. With the CAS number of 5325-04-2, its IUPAC name is 1-(4-hydroxy-3,5-dimethylphenyl)ethanone. Usually, its molecular formula is C₁₀H₁₂O₂. It is irritating to eyes, respiratory system and skin, so when you are using it, you should wear suitable protective clothing. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. In addition, the 3,5-Dimethyl-4-hydroxyacetophenone is stable on normal temperature and pressure, and it should be stored at the sealed, cool and dry place. 

Physical properties about this chemical are: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 35.61; (6)ACD/BCF (pH 7.4): 34.48; (7)ACD/KOC (pH 5.5): 448.97; (8)ACD/KOC (pH 7.4): 434.72; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3Ų; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 47.81 cm³; (15)Molar Volume: 151.9 cm³; (16)Polarizability: 18.95×10^-24 cm³; (17)Surface Tension: 40.2 dyne/cm; (18)Density: 1.08 g/cm³; (19)Flash Point: 133.4 °C; (20)Enthalpy of Vaporization: 57.82 kJ/mol; (21)Boiling Point: 314.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000245 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(c(O)c(c1)C)C)C
(2)InChI: InChI=1/C10H12O2/c1-6-4-9(8(3)11)5-7(2)10(6)12/h4-5,12H,1-3H3
(3)InChIKey: MUWPKXVVEOGKNO-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H12O2/c1-6-4-9(8(3)11)5-7(2)10(6)12/h4-5,12H,1-3H3
(5)Std. InChIKey: MUWPKXVVEOGKNO-UHFFFAOYSA-N