1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetic acid
Also Known As: Indomethacin Analogue|Lopac-C-1610|Lopac0_000239|1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid|Tox21_500239|NCGC00015217-01|SDCCGSBI-0050227.P002|NCGC00015217-02|NCGC00015217-03|NCGC00015217-04|NCGC00015217-05|NCGC00015217-07|NCGC00093702-01|NCGC00093702-02|NCGC00260924-01|C 1610|SR-01000075743-1|N0001-008649|1h-indole-3-acetic acid,1-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-|[1-(4-Chlorobenzyl)-5-methoxy-2-methyl-1H-indole-3-yl]acetic acid|1-(4-Chlorobenzyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid|[1-(4-Chloro-benzyl)-5-methoxy-2-methyl-1H-indol-3-yl]-acetic acid|{1-[(4-Chlorophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid|1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid, >98% (HPLC)|1-[(4-Chlorophenyl)methyl]-5-methoxy-2-methyl-1H-indole-3-acetic acid|2-(1-(4-Chlorobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid|2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetic acid
| Molecular Formula | C19H18ClNO3 |
|---|---|
| Molecular Weight | 343.09753 g/mol |
| LogP | 4.28712 |
| Topological Polar Surface Area | 51.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.09753 |
| Monoisotopic Mass | 343.09753 |
| Heavy Atoms | 24 |
| Complexity | 897.1111 |
Chemical Identifiers
| CAS Number | 84126-83-0 |
|---|---|
| SMILES | CC1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O |
Product Overview
1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid (CAS 84126-83-0), with molecular formula C19H18ClNO3 and molecular weight 343.09753 g/mol. IUPAC: 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetic acid.