2-Ethylphenanthrene

The IUPAC name of this chemical is 2-ethylphenanthrene. With the CAS registry number 3674-74-6, it is also named as Phenanthrene, 2-ethyl-. What's more, the formula is C₁₆H₁₄ and the molecular weight is 206.28. In addition, people should be careful when using this chemical.

The other characteristics of 2-Ethylphenanthrene can be summarized as: (1)ACD/LogP: 5.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.67; (4)ACD/LogD (pH 7.4): 5.67; (5)ACD/BCF (pH 5.5): 12023.79; (6)ACD/BCF (pH 7.4): 12023.79; (7)ACD/KOC (pH 5.5): 28978.9; (8)ACD/KOC (pH 7.4): 28978.9; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.673; (13)Molar Refractivity: 71.48 cm³; (14)Molar Volume: 190.4 cm³; (15)Polarizability: 28.33×10^-24 cm³; (16)Surface Tension: 44.3 dyne/cm; (17)Enthalpy of Vaporization: 58.64 kJ/mol; (18)Vapour Pressure: 3.57E-05 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 206.10955; (21)MonoIsotopic Mass: 206.10955; (22)Heavy Atom Count: 16; (23)Complexity: 232.

Preparation of 2-Ethylphenanthrene: It can be obtained by 1-[2]phenanthryl-ethanone. This reaction needs reagents amalgamated zinc and concentrated aqueous HCl.

People can use the following data to convert to the molecule structure.
1. SMILES:c3cc2c1c(cc(cc1)CC)ccc2cc3
2. InChI:InChI=1/C16H14/c1-2-12-7-10-16-14(11-12)9-8-13-5-3-4-6-15(13)16/h3-11H,2H2,1H3
3. InChIKey:UMAHMIHRNVICDZ-UHFFFAOYAU
4. Std. InChI:InChI=1S/C16H14/c1-2-12-7-10-16-14(11-12)9-8-13-5-3-4-6-15(13)16/h3-11H,2H2,1H3
5. Std. InChIKey:UMAHMIHRNVICDZ-UHFFFAOYSA-N