REV 5901

The Benzenemethanol, α-pentyl-3-(2-quinolinylmethoxy)-, with the CAS registry number 101910-24-1, is also known as α-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol. This chemical's molecular formula is C₂₂H₂₅NO₂ and molecular weight is 335.44. What's more, its IUPAC name is 1-[3-(Quinolin-2-ylmethoxy)phenyl]hexan-1-ol. This chemical's classification codes are Analgesics; Analgesics, Non-Narcotic; Anti-inflammatory Agents; Anti-inflammatory Agents, Non-steroidal; Antioxidants; Antirheumatic Agents; Enzyme Inhibitors; Hematologic Agents; Lipoxygenase Inhibitors; Peripheral Nervous System Agents; Platelet Aggregation Inhibitors; Protective Agents; Sensory System Agents.

Physical properties about Benzenemethanol, α-pentyl-3-(2-quinolinylmethoxy)- are: (1)ACD/LogP: 4.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.93; (4)ACD/LogD (pH 7.4): 4.94; (5)ACD/BCF (pH 5.5): 3298.86; (6)ACD/BCF (pH 7.4): 3366.28; (7)ACD/KOC (pH 5.5): 11415.88; (8)ACD/KOC (pH 7.4): 11649.21; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 31.35 Å²; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 102.97 cm³; (15)Molar Volume: 298.5 cm³; (16)Polarizability: 40.82×10^-24 cm³; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.123 g/cm³; (19)Flash Point: 254.8 °C; (20)Enthalpy of Vaporization: 80.64 kJ/mol; (21)Boiling Point: 497.7 °C at 760 mmHg; (22)Vapour Pressure: 1E-10 mmHg at 25 °C.

Preparation of Benzenemethanol, α-pentyl-3-(2-quinolinylmethoxy)-: this chemical is prepared by reaction of 2-Chloromethyl-quinoline with 1-(3-Hydroxy-phenyl)-hexan-1-ol. The reaction needs reagent K₂CO₃ and solvent Dimethylformamide. The reaction time is 20 hours with reaction temperature of 75 °C. The yield is about 86 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. 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: OC(c3cc(OCc1nc2ccccc2cc1)ccc3)CCCCC
(2) InChI: InChI=1/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
(3) InChIKey: JRLOEMCOOZSCQP-UHFFFAOYAE