7-methoxy-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;bis(5-methyl-1-propylindole-2-carboxylic acid);bis(5-phenylmethoxy-1-propylindole-2-carboxylic acid);5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;4-propoxy-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;1-propylindole-2-carboxylic acid

C135H133F9N8O20 — CID 158580230

IUPAC7-methoxy-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;bis(5-methyl-1-propylindole-2-carboxylic acid);bis(5-phenylmethoxy-1-propylindole-2-carboxylic acid);5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;4-propoxy-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;1-propylindole-2-carboxylic acid
SMILESCC(C)c1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(C(F)(F)F)cc1.CCCOc1cccc2c1cc(C(=O)O)n2Cc1ccc(C(F)(F)F)cc1.CCCn1c(C(=O)O)cc2cc(C)ccc21.CCCn1c(C(=O)O)cc2cc(C)ccc21.CCCn1c(C(=O)O)cc2cc(OCc3ccccc3)ccc21.CCCn1c(C(=O)O)cc2cc(OCc3ccccc3)ccc21.CCCn1c(C(=O)O)cc2ccccc21.COc1ccc(C)c2cc(C(=O)O)n(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C20H18F3NO3.C20H18F3NO2.C19H16F3NO3.2C19H19NO3.2C13H15NO2.C12H13NO2/c1-2-10-27-18-5-3-4-16-15(18)11-17(19(25)26)24(16)12-13-6-8-14(9-7-13)20(21,22)23;1-12(2)14-5-8-17-15(9-14)10-18(19(25)26)24(17)11-13-3-6-16(7-4-13)20(21,22)23;1-11-3-8-16(26-2)17-14(11)9-15(18(24)25)23(17)10-12-4-6-13(7-5-12)19(20,21)22;2*1-2-10-20-17-9-8-16(11-15(17)12-18(20)19(21)22)23-13-14-6-4-3-5-7-14;2*1-3-6-14-11-5-4-9(2)7-10(11)8-12(14)13(15)16;1-2-7-13-10-6-4-3-5-9(10)8-11(13)12(14)15/h3-9,11H,2,10,12H2,1H3,(H,25,26);3-10,12H,11H2,1-2H3,(H,25,26);3-9H,10H2,1-2H3,(H,24,25);2*3-9,11-12H,2,10,13H2,1H3,(H,21,22);2*4-5,7-8H,3,6H2,1-2H3,(H,15,16);3-6,8H,2,7H2,1H3,(H,14,15)
InChIKeyHTDXFERLBUFWNS-UHFFFAOYSA-N
MW2358.57 g/mol
LogP32.97
Rot. Bonds35

About 7-methoxy-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;bis(5-methyl-1-propylindole-2-carboxylic acid);bis(5-phenylmethoxy-1-propylindole-2-carboxylic acid);5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;4-propoxy-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;1-propylindole-2-carboxylic acid

7-methoxy-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;bis(5-methyl-1-propylindole-2-carboxylic acid);bis(5-phenylmethoxy-1-propylindole-2-carboxylic acid);5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;4-propoxy-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;1-propylindole-2-carboxylic acid (PubChem CID 158580230) has the molecular formula C135H133F9N8O20 and a molecular weight of 2358.57 g/mol. Its IUPAC name is 7-methoxy-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;bis(5-methyl-1-propylindole-2-carboxylic acid);bis(5-phenylmethoxy-1-propylindole-2-carboxylic acid);5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;4-propoxy-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;1-propylindole-2-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;bis(5-methyl-1-propylindole-2-carboxylic acid);bis(5-phenylmethoxy-1-propylindole-2-carboxylic acid);5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;4-propoxy-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;1-propylindole-2-carboxylic acid
PubChem CID158580230
Molecular FormulaC135H133F9N8O20
Molecular Weight2358.57 g/mol
Exact Mass2356.95
IUPAC Name7-methoxy-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;bis(5-methyl-1-propylindole-2-carboxylic acid);bis(5-phenylmethoxy-1-propylindole-2-carboxylic acid);5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;4-propoxy-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;1-propylindole-2-carboxylic acid
SMILESCC(C)c1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(C(F)(F)F)cc1.CCCOc1cccc2c1cc(C(=O)O)n2Cc1ccc(C(F)(F)F)cc1.CCCn1c(C(=O)O)cc2cc(C)ccc21.CCCn1c(C(=O)O)cc2cc(C)ccc21.CCCn1c(C(=O)O)cc2cc(OCc3ccccc3)ccc21.CCCn1c(C(=O)O)cc2cc(OCc3ccccc3)ccc21.CCCn1c(C(=O)O)cc2ccccc21.COc1ccc(C)c2cc(C(=O)O)n(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C20H18F3NO3.C20H18F3NO2.C19H16F3NO3.2C19H19NO3.2C13H15NO2.C12H13NO2/c1-2-10-27-18-5-3-4-16-15(18)11-17(19(25)26)24(16)12-13-6-8-14(9-7-13)20(21,22)23;1-12(2)14-5-8-17-15(9-14)10-18(19(25)26)24(17)11-13-3-6-16(7-4-13)20(21,22)23;1-11-3-8-16(26-2)17-14(11)9-15(18(24)25)23(17)10-12-4-6-13(7-5-12)19(20,21)22;2*1-2-10-20-17-9-8-16(11-15(17)12-18(20)19(21)22)23-13-14-6-4-3-5-7-14;2*1-3-6-14-11-5-4-9(2)7-10(11)8-12(14)13(15)16;1-2-7-13-10-6-4-3-5-9(10)8-11(13)12(14)15/h3-9,11H,2,10,12H2,1H3,(H,25,26);3-10,12H,11H2,1-2H3,(H,25,26);3-9H,10H2,1-2H3,(H,24,25);2*3-9,11-12H,2,10,13H2,1H3,(H,21,22);2*4-5,7-8H,3,6H2,1-2H3,(H,15,16);3-6,8H,2,7H2,1H3,(H,14,15)
InChIKeyHTDXFERLBUFWNS-UHFFFAOYSA-N
XLogP32.97
TPSA374.76 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds35
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002358.57
LogP ≤ 532.97
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 7-methoxy-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;bis(5-methyl-1-propylindole-2-carboxylic acid);bis(5-phenylmethoxy-1-propylindole-2-carboxylic acid);5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;4-propoxy-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;1-propylindole-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;bis(5-methyl-1-propylindole-2-carboxylic acid);bis(5-phenylmethoxy-1-propylindole-2-carboxylic acid);5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;4-propoxy-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;1-propylindole-2-carboxylic acid?
The IUPAC name of 7-methoxy-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;bis(5-methyl-1-propylindole-2-carboxylic acid);bis(5-phenylmethoxy-1-propylindole-2-carboxylic acid);5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;4-propoxy-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;1-propylindole-2-carboxylic acid (CID 158580230) is 7-methoxy-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;bis(5-methyl-1-propylindole-2-carboxylic acid);bis(5-phenylmethoxy-1-propylindole-2-carboxylic acid);5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;4-propoxy-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;1-propylindole-2-carboxylic acid.
What is the SMILES notation for 7-methoxy-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;bis(5-methyl-1-propylindole-2-carboxylic acid);bis(5-phenylmethoxy-1-propylindole-2-carboxylic acid);5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;4-propoxy-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;1-propylindole-2-carboxylic acid?
The canonical SMILES for 7-methoxy-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;bis(5-methyl-1-propylindole-2-carboxylic acid);bis(5-phenylmethoxy-1-propylindole-2-carboxylic acid);5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;4-propoxy-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;1-propylindole-2-carboxylic acid is CC(C)c1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(C(F)(F)F)cc1.CCCOc1cccc2c1cc(C(=O)O)n2Cc1ccc(C(F)(F)F)cc1.CCCn1c(C(=O)O)cc2cc(C)ccc21.CCCn1c(C(=O)O)cc2cc(C)ccc21.CCCn1c(C(=O)O)cc2cc(OCc3ccccc3)ccc21.CCCn1c(C(=O)O)cc2cc(OCc3ccccc3)ccc21.CCCn1c(C(=O)O)cc2ccccc21.COc1ccc(C)c2cc(C(=O)O)n(Cc3ccc(C(F)(F)F)cc3)c12.
What is the InChIKey of 7-methoxy-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;bis(5-methyl-1-propylindole-2-carboxylic acid);bis(5-phenylmethoxy-1-propylindole-2-carboxylic acid);5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;4-propoxy-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;1-propylindole-2-carboxylic acid?
The InChIKey is HTDXFERLBUFWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO3.C20H18F3NO2.C19H16F3NO3.2C19H19NO3.2C13H15NO2.C12H13NO2/c1-2-10-27-18-5-3-4-16-15(18)11-17(19(25)26)24(16)12-13-6-8-14(9-7-13)20(21,22)23;1-12(2)14-5-8-17-15(9-14)10-18(19(25)26)24(17)11-13-3-6-16(7-4-13)20(21,22)23;1-11-3-8-16(26-2)17-14(11)9-15(18(24)25)23(17)10-12-4-6-13(7-5-12)19(20,21)22;2*1-2-10-20-17-9-8-16(11-15(17)12-18(20)19(21)22)23-13-14-6-4-3-5-7-14;2*1-3-6-14-11-5-4-9(2)7-10(11)8-12(14)13(15)16;1-2-7-13-10-6-4-3-5-9(10)8-11(13)12(14)15/h3-9,11H,2,10,12H2,1H3,(H,25,26);3-10,12H,11H2,1-2H3,(H,25,26);3-9H,10H2,1-2H3,(H,24,25);2*3-9,11-12H,2,10,13H2,1H3,(H,21,22);2*4-5,7-8H,3,6H2,1-2H3,(H,15,16);3-6,8H,2,7H2,1H3,(H,14,15).
What are the key properties of 7-methoxy-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;bis(5-methyl-1-propylindole-2-carboxylic acid);bis(5-phenylmethoxy-1-propylindole-2-carboxylic acid);5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;4-propoxy-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;1-propylindole-2-carboxylic acid?
7-methoxy-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;bis(5-methyl-1-propylindole-2-carboxylic acid);bis(5-phenylmethoxy-1-propylindole-2-carboxylic acid);5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;4-propoxy-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;1-propylindole-2-carboxylic acid has a molecular weight of 2358.57 g/mol, XLogP of 32.97, 35 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;bis(5-methyl-1-propylindole-2-carboxylic acid);bis(5-phenylmethoxy-1-propylindole-2-carboxylic acid);5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;4-propoxy-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;1-propylindole-2-carboxylic acid is sourced from PubChem (CID 158580230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).