[3-[(Benzyl)oxy]-2-pyridinyl]methanol (6059-29-6)

The [3-[(Benzyl)oxy]-2-pyridinyl]methanol with the cas number 6059-29-6 is also called 2-pyridinemethanol, 3-(phenylmethoxy)-. Both the systematic name and IUPAC name are (3-phenylmethoxypyridin-2-yl)methanol. Its molecular formula is C₁₃H₁₃NO₂.

The properties of the chemical are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.52; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 8.3; (6)ACD/BCF (pH 7.4): 8.82; (7)ACD/KOC (pH 5.5): 155.57; (8)ACD/KOC (pH 7.4): 165.27; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 42.35 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 61.96 cm³; (15)Molar Volume: 181.1 cm³; (16)Polarizability: 24.56×10^-24cm³; (17)Surface Tension: 50.8 dyne/cm; (18)Enthalpy of Vaporization: 65.14 kJ/mol; (19)Vapour Pressure: 3.82×10^-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)COc2cccnc2CO
(2)InChI: InChI=1/C13H13NO2/c15-9-12-13(7-4-8-14-12)16-10-11-5-2-1-3-6-11/h1-8,15H,9-10H2
(3)InChIKey: PGCMORSSVVBCQR-UHFFFAOYAJ