4'-[(2S)-2-Methylbutyl]-[1,1'-biphenyl]-4-carboxylic acid (62614-48-6)

With the CAS registry number 62614-48-6, the systematic name of 4'-[(2S)-2-Methylbutyl]-[1,1'-biphenyl]-4-carboxylic acid is 4'-[(2S)-2-methylbutyl]biphenyl-4-carboxylic acid. In addition, the product's molecular formula is C₁₈H₂₀O₂ and molecular weight is 268.35.

The other characteristics of 4'-[(2S)-2-Methylbutyl]-[1,1'-biphenyl]-4-carboxylic acid can be summarized as: (1)ACD/LogP: 6.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.86; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 1430.86; (6)ACD/BCF (pH 7.4): 38.43; (7)ACD/KOC (pH 5.5): 2715.62; (8)ACD/KOC (pH 7.4): 72.94; (9)H bond acceptors: 2; (10)H bond donors: 1; (11)Freely Rotating Bonds: 5; (12)Nominal mass: 268; (13)Average mass: 268.3502; (14)Monoisotopic mass: 268.14633; (15)Polar Surface Area: 26.3 Å²; (16)Index of Refraction: 1.562; (17)Molar Refractivity: 81.18 cm³; (18)Molar Volume: 249.9 cm³; (19)Polarizability: 32.18×10^-24cm³; (20)Surface Tension: 41.9 dyne/cm; (21)Density: 1.073 g/cm³; (22)Flash Point: 197 °C; (23)Enthalpy of Vaporization: 71.02 kJ/mol; (24)Boiling Point: 419.9 °C at 760 mmHg; (25)Vapour Pressure: 8.43E-08 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)c2ccc(c1ccc(cc1)C[C@H](CC)C)cc2
(2)InChI:InChI=1/C18H20O2/c1-3-13(2)12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18(19)20/h4-11,13H,3,12H2,1-2H3,(H,19,20)/t13-/m0/s1
(3)InChIKey:CCLVGHDFLATNLC-ZDUSSCGKBV
(4)Std. InChI:InChI=1S/C18H20O2/c1-3-13(2)12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18(19)20/h4-11,13H,3,12H2,1-2H3,(H,19,20)/t13-/m0/s1
(5)Std. InChIKey:CCLVGHDFLATNLC-ZDUSSCGKSA-N