3-[7-bromo-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-ethyl-1,5-dimethylpyrazol-4-yl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylphenyl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-phenylindol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-pyridin-3-ylindol-1-yl]propanoic acid

C135H142BrCl5N8O15 — CID 158549312

About 3-[7-bromo-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-ethyl-1,5-dimethylpyrazol-4-yl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylphenyl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-phenylindol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-pyridin-3-ylindol-1-yl]propanoic acid

3-[7-bromo-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-ethyl-1,5-dimethylpyrazol-4-yl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylphenyl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-phenylindol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-pyridin-3-ylindol-1-yl]propanoic acid (PubChem CID 158549312) has the molecular formula C135H142BrCl5N8O15 and a molecular weight of 2373.83 g/mol. Its IUPAC name is 3-[7-bromo-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-ethyl-1,5-dimethylpyrazol-4-yl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylphenyl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-phenylindol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-pyridin-3-ylindol-1-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[7-bromo-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-ethyl-1,5-dimethylpyrazol-4-yl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylphenyl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-phenylindol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-pyridin-3-ylindol-1-yl]propanoic acid
• PubChem CID: 158549312
• Molecular Formula: C135H142BrCl5N8O15
• Molecular Weight: 2373.83 g/mol
• Exact Mass: 2368.82
• IUPAC Name: 3-[7-bromo-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-ethyl-1,5-dimethylpyrazol-4-yl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylphenyl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-phenylindol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-pyridin-3-ylindol-1-yl]propanoic acid
• SMILES: CCc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)cn(CCC(=O)O)c12.Cc1cc(OCCCc2cn(CCC(=O)O)c3c(-c4ccccc4)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2cn(CCC(=O)O)c3c(-c4cccnc4)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2cn(CCC(=O)O)c3c(Br)cccc23)cc(C)c1Cl.Cc1ccccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)cn(CCC(=O)O)c12
• InChI: InChI=1S/C29H34ClN3O3.C29H30ClNO3.C28H28ClNO3.C27H27ClN2O3.C22H23BrClNO3/c1-6-25-27(20(4)32(5)31-25)24-11-7-10-23-21(17-33(29(23)24)13-12-26(34)35)9-8-14-36-22-15-18(2)28(30)19(3)16-22;1-19-8-4-5-10-24(19)26-12-6-11-25-22(18-31(29(25)26)14-13-27(32)33)9-7-15-34-23-16-20(2)28(30)21(3)17-23;1-19-16-23(17-20(2)27(19)29)33-15-7-10-22-18-30(14-13-26(31)32)28-24(11-6-12-25(22)28)21-8-4-3-5-9-21;1-18-14-22(15-19(2)26(18)28)33-13-5-7-21-17-30(12-10-25(31)32)27-23(8-3-9-24(21)27)20-6-4-11-29-16-20;1-14-11-17(12-15(2)21(14)24)28-10-4-5-16-13-25(9-8-20(26)27)22-18(16)6-3-7-19(22)23/h7,10-11,15-17H,6,8-9,12-14H2,1-5H3,(H,34,35);4-6,8,10-12,16-18H,7,9,13-15H2,1-3H3,(H,32,33);3-6,8-9,11-12,16-18H,7,10,13-15H2,1-2H3,(H,31,32);3-4,6,8-9,11,14-17H,5,7,10,12-13H2,1-2H3,(H,31,32);3,6-7,11-13H,4-5,8-10H2,1-2H3,(H,26,27)
• InChIKey: HPMZXHLGMHAXSQ-UHFFFAOYSA-N
• XLogP: 33.73
• TPSA: 288.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 45
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2373.83
LogP ≤ 5	33.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[7-bromo-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-ethyl-1,5-dimethylpyrazol-4-yl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylphenyl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-phenylindol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-pyridin-3-ylindol-1-yl]propanoic acid?

The IUPAC name of 3-[7-bromo-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-ethyl-1,5-dimethylpyrazol-4-yl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylphenyl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-phenylindol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-pyridin-3-ylindol-1-yl]propanoic acid (CID 158549312) is 3-[7-bromo-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-ethyl-1,5-dimethylpyrazol-4-yl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylphenyl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-phenylindol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-pyridin-3-ylindol-1-yl]propanoic acid.

What is the SMILES notation for 3-[7-bromo-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-ethyl-1,5-dimethylpyrazol-4-yl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylphenyl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-phenylindol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-pyridin-3-ylindol-1-yl]propanoic acid?

The canonical SMILES for 3-[7-bromo-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-ethyl-1,5-dimethylpyrazol-4-yl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylphenyl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-phenylindol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-pyridin-3-ylindol-1-yl]propanoic acid is CCc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)cn(CCC(=O)O)c12.Cc1cc(OCCCc2cn(CCC(=O)O)c3c(-c4ccccc4)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2cn(CCC(=O)O)c3c(-c4cccnc4)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2cn(CCC(=O)O)c3c(Br)cccc23)cc(C)c1Cl.Cc1ccccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)cn(CCC(=O)O)c12.

What is the InChIKey of 3-[7-bromo-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-ethyl-1,5-dimethylpyrazol-4-yl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylphenyl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-phenylindol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-pyridin-3-ylindol-1-yl]propanoic acid?

The InChIKey is HPMZXHLGMHAXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClN3O3.C29H30ClNO3.C28H28ClNO3.C27H27ClN2O3.C22H23BrClNO3/c1-6-25-27(20(4)32(5)31-25)24-11-7-10-23-21(17-33(29(23)24)13-12-26(34)35)9-8-14-36-22-15-18(2)28(30)19(3)16-22;1-19-8-4-5-10-24(19)26-12-6-11-25-22(18-31(29(25)26)14-13-27(32)33)9-7-15-34-23-16-20(2)28(30)21(3)17-23;1-19-16-23(17-20(2)27(19)29)33-15-7-10-22-18-30(14-13-26(31)32)28-24(11-6-12-25(22)28)21-8-4-3-5-9-21;1-18-14-22(15-19(2)26(18)28)33-13-5-7-21-17-30(12-10-25(31)32)27-23(8-3-9-24(21)27)20-6-4-11-29-16-20;1-14-11-17(12-15(2)21(14)24)28-10-4-5-16-13-25(9-8-20(26)27)22-18(16)6-3-7-19(22)23/h7,10-11,15-17H,6,8-9,12-14H2,1-5H3,(H,34,35);4-6,8,10-12,16-18H,7,9,13-15H2,1-3H3,(H,32,33);3-6,8-9,11-12,16-18H,7,10,13-15H2,1-2H3,(H,31,32);3-4,6,8-9,11,14-17H,5,7,10,12-13H2,1-2H3,(H,31,32);3,6-7,11-13H,4-5,8-10H2,1-2H3,(H,26,27).

What are the key properties of 3-[7-bromo-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-ethyl-1,5-dimethylpyrazol-4-yl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylphenyl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-phenylindol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-pyridin-3-ylindol-1-yl]propanoic acid?

3-[7-bromo-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-ethyl-1,5-dimethylpyrazol-4-yl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylphenyl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-phenylindol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-pyridin-3-ylindol-1-yl]propanoic acid has a molecular weight of 2373.83 g/mol, XLogP of 33.73, 45 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-bromo-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-ethyl-1,5-dimethylpyrazol-4-yl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylphenyl)indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-phenylindol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-pyridin-3-ylindol-1-yl]propanoic acid is sourced from PubChem (CID 158549312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).