Phenol,3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]- (73986-53-5)

The O-Desmethyltramadol is an organic compound with the formula C₁₅H₂₃NO₂. The IUPAC name of this chemical is 3-[2-(dimethylaminomethyl)-1-hydroxycyclohexyl]phenol. With the CAS registry number 73986-53-5, it is also named as phenol, 3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-.

Physical properties about O-Desmethyltramadol are: (1)ACD/LogP: 1.86; (2)ACD/LogD (pH 5.5): -1.18; (3)ACD/LogD (pH 7.4): -0.16; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 2.31; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 21.7 Å²; (12)Index of Refraction: 1.561; (13)Molar Refractivity: 73.17 cm³; (14)Molar Volume: 225.8 cm³; (15)Polarizability: 29×10^-24cm³; (16)Surface Tension: 46.3 dyne/cm; (17)Density: 1.104 g/cm³; (18)Flash Point: 201.2 °C; (19)Enthalpy of Vaporization: 69.03 kJ/mol; (20)Boiling Point: 403.3 °C at 760 mmHg; (21)Vapour Pressure: 3.14E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC2(c1cc(O)ccc1)CCCCC2CN(C)C
(2)InChI: InChI=1/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3
(3)InChIKey: UWJUQVWARXYRCG-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3
(5)Std. InChIKey: UWJUQVWARXYRCG-UHFFFAOYSA-N

The toxicity data is as follows: