2-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-6-methyl-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxamide;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4-(2H-tetrazol-5-yl)-1H-benzimidazole;2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid

C145H95F20N13O14 — CID 159248065

About 2-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-6-methyl-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxamide;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4-(2H-tetrazol-5-yl)-1H-benzimidazole;2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid

2-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-6-methyl-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxamide;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4-(2H-tetrazol-5-yl)-1H-benzimidazole;2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid (PubChem CID 159248065) has the molecular formula C145H95F20N13O14 and a molecular weight of 2623.39 g/mol. Its IUPAC name is 2-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-6-methyl-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxamide;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4-(2H-tetrazol-5-yl)-1H-benzimidazole;2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-6-methyl-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxamide;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4-(2H-tetrazol-5-yl)-1H-benzimidazole;2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid
• PubChem CID: 159248065
• Molecular Formula: C145H95F20N13O14
• Molecular Weight: 2623.39 g/mol
• Exact Mass: 2621.68
• IUPAC Name: 2-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-6-methyl-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxamide;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4-(2H-tetrazol-5-yl)-1H-benzimidazole;2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid
• SMILES: Cc1cc(-c2nn[nH]n2)c2nc(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)[nH]c2c1.Cc1cc(C(N)=O)c2nc(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)[nH]c2c1.Cc1cc2c(c(C(=O)O)c1)CC(c1c(F)c(F)c(-c3cccc(O)c3)c(F)c1F)=N2.Cc1cc2c(c(C(=O)O)c1)CC(c1c(F)c(F)c(-c3ccccc3OCc3ccccc3)c(F)c1F)=N2.Cc1cc2c(c(C(=O)O)c1)CC(c1ccc(-c3ccc(OCCO)cc3)cc1)=N2.O=C(O)c1cccc2c1CC(c1c(F)c(F)c(-c3ccccc3OCc3ccccc3)c(F)c1F)=N2
• InChI: InChI=1S/C29H19F4NO3.C28H17F4NO3.C24H21NO4.C22H13F4NO3.C21H12F4N6.C21H13F4N3O/c1-15-11-19(29(35)36)18-13-21(34-20(18)12-15)24-27(32)25(30)23(26(31)28(24)33)17-9-5-6-10-22(17)37-14-16-7-3-2-4-8-16;29-24-22(17-9-4-5-12-21(17)36-14-15-7-2-1-3-8-15)25(30)27(32)23(26(24)31)20-13-18-16(28(34)35)10-6-11-19(18)33-20;1-15-12-21(24(27)28)20-14-22(25-23(20)13-15)18-4-2-16(3-5-18)17-6-8-19(9-7-17)29-11-10-26;1-9-5-13(22(29)30)12-8-15(27-14(12)6-9)17-20(25)18(23)16(19(24)21(17)26)10-3-2-4-11(28)7-10;1-9-7-11(20-28-30-31-29-20)19-12(8-9)26-21(27-19)14-17(24)15(22)13(16(23)18(14)25)10-5-3-2-4-6-10;1-9-7-11(20(26)29)19-12(8-9)27-21(28-19)14-17(24)15(22)13(16(23)18(14)25)10-5-3-2-4-6-10/h2-12H,13-14H2,1H3,(H,35,36);1-12H,13-14H2,(H,34,35);2-9,12-13,26H,10-11,14H2,1H3,(H,27,28);2-7,28H,8H2,1H3,(H,29,30);2-8H,1H3,(H,26,27)(H,28,29,30,31);2-8H,1H3,(H2,26,29)(H,27,28)
• InChIKey: KUXUTILQEBEUNC-UHFFFAOYSA-N
• XLogP: 33.55
• TPSA: 421.70 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 19
• Rotatable Bonds: 27
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2623.39
LogP ≤ 5	33.55
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-6-methyl-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxamide;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4-(2H-tetrazol-5-yl)-1H-benzimidazole;2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid?

The IUPAC name of 2-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-6-methyl-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxamide;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4-(2H-tetrazol-5-yl)-1H-benzimidazole;2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid (CID 159248065) is 2-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-6-methyl-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxamide;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4-(2H-tetrazol-5-yl)-1H-benzimidazole;2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid.

What is the SMILES notation for 2-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-6-methyl-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxamide;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4-(2H-tetrazol-5-yl)-1H-benzimidazole;2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid?

The canonical SMILES for 2-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-6-methyl-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxamide;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4-(2H-tetrazol-5-yl)-1H-benzimidazole;2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid is Cc1cc(-c2nn[nH]n2)c2nc(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)[nH]c2c1.Cc1cc(C(N)=O)c2nc(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)[nH]c2c1.Cc1cc2c(c(C(=O)O)c1)CC(c1c(F)c(F)c(-c3cccc(O)c3)c(F)c1F)=N2.Cc1cc2c(c(C(=O)O)c1)CC(c1c(F)c(F)c(-c3ccccc3OCc3ccccc3)c(F)c1F)=N2.Cc1cc2c(c(C(=O)O)c1)CC(c1ccc(-c3ccc(OCCO)cc3)cc1)=N2.O=C(O)c1cccc2c1CC(c1c(F)c(F)c(-c3ccccc3OCc3ccccc3)c(F)c1F)=N2.

What is the InChIKey of 2-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-6-methyl-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxamide;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4-(2H-tetrazol-5-yl)-1H-benzimidazole;2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid?

The InChIKey is KUXUTILQEBEUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19F4NO3.C28H17F4NO3.C24H21NO4.C22H13F4NO3.C21H12F4N6.C21H13F4N3O/c1-15-11-19(29(35)36)18-13-21(34-20(18)12-15)24-27(32)25(30)23(26(31)28(24)33)17-9-5-6-10-22(17)37-14-16-7-3-2-4-8-16;29-24-22(17-9-4-5-12-21(17)36-14-15-7-2-1-3-8-15)25(30)27(32)23(26(24)31)20-13-18-16(28(34)35)10-6-11-19(18)33-20;1-15-12-21(24(27)28)20-14-22(25-23(20)13-15)18-4-2-16(3-5-18)17-6-8-19(9-7-17)29-11-10-26;1-9-5-13(22(29)30)12-8-15(27-14(12)6-9)17-20(25)18(23)16(19(24)21(17)26)10-3-2-4-11(28)7-10;1-9-7-11(20-28-30-31-29-20)19-12(8-9)26-21(27-19)14-17(24)15(22)13(16(23)18(14)25)10-5-3-2-4-6-10;1-9-7-11(20(26)29)19-12(8-9)27-21(28-19)14-17(24)15(22)13(16(23)18(14)25)10-5-3-2-4-6-10/h2-12H,13-14H2,1H3,(H,35,36);1-12H,13-14H2,(H,34,35);2-9,12-13,26H,10-11,14H2,1H3,(H,27,28);2-7,28H,8H2,1H3,(H,29,30);2-8H,1H3,(H,26,27)(H,28,29,30,31);2-8H,1H3,(H2,26,29)(H,27,28).

What are the key properties of 2-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-6-methyl-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxamide;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4-(2H-tetrazol-5-yl)-1H-benzimidazole;2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid?

2-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-6-methyl-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxamide;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4-(2H-tetrazol-5-yl)-1H-benzimidazole;2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid has a molecular weight of 2623.39 g/mol, XLogP of 33.55, 27 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-6-methyl-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxamide;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4-(2H-tetrazol-5-yl)-1H-benzimidazole;2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid is sourced from PubChem (CID 159248065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).