2-Adamantyl-4-methylphenol

The Phenol,4-methyl-2-tricyclo[3.3.1.13,7]dec-1-yl-, with the CAS registry number 41031-50-9, is also known as 2-(1-Adamantyl)-4-methylphenol. This chemical's molecular formula is C₁₇H₂₂O and molecular weight is 242.36. What's more, its systematic name is 4-Methyl-2-(tricyclo[3.3.1.13,7]dec-1-yl)phenol and it belongs to the product categories of Adamantane derivatives; Organic Building Blocks; Oxygen Compounds; Phenols.

Physical properties of Phenol,4-methyl-2-tricyclo[3.3.1.13,7]dec-1-yl- are: (1)ACD/LogP: 5.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.28; (4)ACD/LogD (pH 7.4): 5.28; (5)ACD/BCF (pH 5.5): 6117.42; (6)ACD/BCF (pH 7.4): 6111.84; (7)ACD/KOC (pH 5.5): 17865.52; (8)ACD/KOC (pH 7.4): 17849.21; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 73.27 cm³; (15)Molar Volume: 213 cm³; (16)Polarizability: 29.04×10^-24 cm³; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.137 g/cm³; (19)Flash Point: 169.4 °C; (20)Enthalpy of Vaporization: 62.94 kJ/mol; (21)Boiling Point: 359.9 °C at 760 mmHg; (22)Vapour Pressure: 1.11E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1C24CC3CC(CC(C2)C3)C4)C
(2)InChI: InChI=1/C17H22O/c1-11-2-3-16(18)15(4-11)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14,18H,5-10H2,1H3
(3)InChIKey: XHLJIHBDAJFXBE-UHFFFAOYSA-N