Chemical Properties of Indomethacin, methyl ester

InChI

InChI=1S/C20H18ClNO4/c1-12-16(11-19(23)26-3)17-10-15(25-2)8-9-18(17)22(12)20(24)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3

InChI Key

OKHORWCUMZIORR-UHFFFAOYSA-N

Formula

C20H18ClNO4

SMILES

COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12

Molecular Weight¹

371.82

Other Names

• 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, methyl ester
• Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, methyl ester
• 1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid methyl ester
• Methyl ester of indomethacin
• Indomethacine, methyl ester
• Indomethacin, methylated
• Indomethacin, methyl deriv.
• methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Indomethacin, methyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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