2-(4-Methylphenoxy)benzaldehyde (19434-35-6)

The 2-(4-Methylphenoxy)benzaldehyde, with the CAS registry number 19434-35-6, has the systematic name and IUPAC name same to itself. And the molecular formula of the chemical is C₁₄H₁₂O₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.9; (4)ACD/LogD (pH 7.4): 3.9; (5)ACD/BCF (pH 5.5): 543.67; (6)ACD/BCF (pH 7.4): 543.67; (7)ACD/KOC (pH 5.5): 3159.03; (8)ACD/KOC (pH 7.4): 3159.03; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 64.27 cm³; (15)Molar Volume: 187.9 cm³; (16)Polarizability: 25.48×10^-24cm³; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.129 g/cm³; (19)Flash Point: 136.2 °C; (20)Enthalpy of Vaporization: 55.79 kJ/mol; (21)Boiling Point: 316.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000408 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc2ccccc2Oc1ccc(cc1)C
(2)InChI: InChI=1/C14H12O2/c1-11-6-8-13(9-7-11)16-14-5-3-2-4-12(14)10-15/h2-10H,1H3
(3)InChIKey: VPSRCJKQVYKILL-UHFFFAOYAW