Ibuprofen

Compound Structure

CAS Number: 15687-27-1

Molecular Mass: 206.28 g/mol

Formula: C13H18O2

Smiles: CC(C)Cc1ccc(C(C)C(=O)O)cc1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Butanol 283.97 - 368.1 [390]
1-Butanol 288.25 - 419.0 [390]
1-Butanol 293.77 - 532.4 [390]
1-Butanol 298.73 - 651.1 [390]
1-Butanol 303.43 - 805.4 [390]
1-Butanol 308.67 - 1004.1 [390]
1-Butanol 313.47 - 1247.0 [390]
1-Butanol 318.23 - 1563.9 [390]
1-Pentanol 283.13 - 296.6 [390]
1-Pentanol 288.05 - 359.1 [390]
1-Pentanol 293.37 - 447.7 [390]
1-Pentanol 298.03 - 541.3 [390]
1-Pentanol 303.13 - 676.2 [390]
1-Pentanol 307.91 - 846.3 [390]
1-Pentanol 312.57 - 1043.5 [390]
1-Pentanol 318.15 - 1357.7 [390]
1-Propanol 284.17 - 408.3 [390]
1-Propanol 288.63 - 497.5 [390]
1-Propanol 293.35 - 594.8 [390]
1-Propanol 303.41 - 902.2 [390]
1-Propanol 307.89 - 1102.9 [390]
1-Propanol 313.01 - 1383.7 [390]
1-Propanol 318.27 - 1786.1 [390]
Acetone 283.57 - 477.7 [390]
Acetone 288.49 - 572.4 [390]
Acetone 293.37 - 699.9 [390]
Acetone 297.87 - 847.0 [390]
Acetone 303.25 - 1039.8 [390]
Acetone 308.07 - 1242.1 [390]
Acetone 312.65 - 1479.2 [390]
Acetone 317.99 - 1842.7 [390]
Ethanol 285.05 - 501.2 [390]
Ethanol 288.65 - 600.1 [390]
Ethanol 293.33 - 708.1 [390]
Ethanol 298.47 - 867.1 [390]
Ethanol 303.39 - 1055.2 [390]
Ethanol 307.87 - 1284.9 [390]
Ethanol 312.93 - 1596.0 [390]
Ethanol 317.95 - 1982.2 [390]
Ethyl acetate 283.17 - 310.1 [390]
Ethyl acetate 288.47 - 399.4 [390]
Ethyl acetate 293.57 - 505.6 [390]
Ethyl acetate 297.69 - 609.7 [390]
Ethyl acetate 302.75 - 774.6 [390]
Ethyl acetate 307.83 - 970.0 [390]
Ethyl acetate 313.07 - 1236.8 [390]
Ethyl acetate 318.45 - 1591.3 [390]
Isoamyl Alcohol 283.57 - 261.8 [390]
Isoamyl Alcohol 288.61 - 330.1 [390]
Isoamyl Alcohol 293.71 - 421.0 [390]
Isoamyl Alcohol 297.95 - 504.6 [390]
Isoamyl Alcohol 303.13 - 633.8 [390]
Isoamyl Alcohol 308.17 - 795.6 [390]
Isoamyl Alcohol 313.31 - 1010.5 [390]
Isoamyl Alcohol 318.83 - 1320.1 [390]
Isobutanol 282.89 - 271.5 [390]
Isobutanol 288.09 - 347.9 [390]
Isobutanol 293.07 - 444.2 [390]
Isobutanol 298.07 - 562.9 [390]
Isobutanol 303.23 - 701.6 [390]
Isobutanol 308.17 - 906.0 [390]
Isobutanol 313.55 - 1168.9 [390]
Isobutanol 317.85 - 1468.2 [390]
Isopropanol 282.97 - 397.8 [390]
Isopropanol 288.07 - 489.1 [390]
Isopropanol 293.43 - 622.5 [390]
Isopropanol 298.21 - 764.7 [390]
Isopropanol 303.57 - 958.5 [390]
Isopropanol 307.57 - 1165.0 [390]
Isopropanol 312.75 - 1423.5 [390]
Isopropanol 318.17 - 1785.2 [390]

Molecule 3D descriptors

Descriptor Value
PMI1 315.7250
PMI2 2117.0767
PMI3 2172.3059
NPR1 0.1453
NPR2 0.9746
RadiusOfGyration 3.3410
InertialShapeFactor 0.0031
Eccentricity 0.9894
Asphericity 0.6314
SpherocityIndex 0.2565
PBF 0.9252