[6-[1-ethyl-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxy-5-hydroxy-2-(hydroxymethyl)hexyl] prop-2-enoate;[6-(1-ethyl-2-phenylindol-6-yl)oxy-5-hydroxy-2-(hydroxymethyl)hexyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-(2-methylpropyl)indol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[1-(2-methylpropyl)-2-phenylindol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-[2-[4-(3-methoxypropyl)phenyl]-1-propan-2-ylindol-6-yl]oxyhexyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-[1-methyl-2-[2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-(2-phenyl-1-propan-2-ylindol-6-yl)oxyhexyl] 2-methylprop-2-enoate

C283H353F3N10O51 — CID 159375899

IUPAC[6-[1-ethyl-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxy-5-hydroxy-2-(hydroxymethyl)hexyl] prop-2-enoate;[6-(1-ethyl-2-phenylindol-6-yl)oxy-5-hydroxy-2-(hydroxymethyl)hexyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-(2-methylpropyl)indol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[1-(2-methylpropyl)-2-phenylindol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-[2-[4-(3-methoxypropyl)phenyl]-1-propan-2-ylindol-6-yl]oxyhexyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-[1-methyl-2-[2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-(2-phenyl-1-propan-2-ylindol-6-yl)oxyhexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CO)CCC(O)COc1ccc2cc(-c3ccccc3)n(CC)c2c1.C=C(C)C(=O)OCC(O)COc1ccc2cc(-c3ccc(CCCCC)cc3C)n(C(C)C)c2c1.C=C(C)C(=O)OCC(O)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(C)c2c1.C=C(C)C(=O)OCC(O)COc1ccc2cc(-c3ccccc3)n(C)c2c1.C=C(C)C(=O)OCC(O)COc1ccc2cc(-c3ccccc3OC(F)(F)F)n(C)c2c1.C=C(C)C(=O)OCCCCC(O)COc1ccc2cc(-c3ccccc3)n(C(C)C)c2c1.C=CC(=O)OCC(CO)CCC(O)COc1ccc2cc(-c3ccc(CCCCC)cc3C)n(CC)c2c1.C=CC(=O)OCC(O)COCCOCC(O)COc1ccc2cc(-c3ccc(CCCCC)cc3C)n(CC(C)C)c2c1.C=CC(=O)OCC(O)COCCOCC(O)COc1ccc2cc(-c3ccccc3)n(CC(C)C)c2c1.C=CC(=O)OCCCCC(O)COc1ccc2cc(-c3ccc(CCCOC)cc3)n(C(C)C)c2c1
InChIInChI=1S/C35H49NO7.C32H43NO5.C30H39NO5.C30H39NO4.C29H37NO7.C28H35NO5.C27H33NO5.C27H33NO4.C23H22F3NO5.C22H23NO4/c1-6-8-9-10-27-11-14-32(26(5)17-27)34-18-28-12-13-31(19-33(28)36(34)20-25(3)4)42-23-29(37)21-40-15-16-41-22-30(38)24-43-35(39)7-2;1-5-8-9-10-24-12-16-29(23(4)17-24)31-18-26-13-15-28(19-30(26)33(31)7-3)37-22-27(35)14-11-25(20-34)21-38-32(36)6-2;1-5-30(33)35-18-7-6-10-26(32)21-36-27-16-15-25-19-28(31(22(2)3)29(25)20-27)24-13-11-23(12-14-24)9-8-17-34-4;1-7-8-9-10-23-11-14-27(22(6)15-23)29-16-24-12-13-26(17-28(24)31(29)21(4)5)34-18-25(32)19-35-30(33)20(2)3;1-4-29(33)37-20-25(32)18-35-13-12-34-17-24(31)19-36-26-11-10-23-14-27(22-8-6-5-7-9-22)30(16-21(2)3)28(23)15-26;1-6-7-8-9-20-10-13-24(27(14-20)32-5)26-15-21-11-12-23(16-25(21)29(26)4)33-17-22(30)18-34-28(31)19(2)3;1-4-28-25(21-8-6-5-7-9-21)14-22-11-13-24(15-26(22)28)32-18-23(30)12-10-20(16-29)17-33-27(31)19(2)3;1-19(2)27(30)31-15-9-8-12-23(29)18-32-24-14-13-22-16-25(21-10-6-5-7-11-21)28(20(3)4)26(22)17-24;1-14(2)22(29)31-13-16(28)12-30-17-9-8-15-10-20(27(3)19(15)11-17)18-6-4-5-7-21(18)32-23(24,25)26;1-15(2)22(25)27-14-18(24)13-26-19-10-9-17-11-20(23(3)21(17)12-19)16-7-5-4-6-8-16/h7,11-14,17-19,25,29-30,37-38H,2,6,8-10,15-16,20-24H2,1,3-5H3;6,12-13,15-19,25,27,34-35H,2,5,7-11,14,20-22H2,1,3-4H3;5,11-16,19-20,22,26,32H,1,6-10,17-18,21H2,2-4H3;11-17,21,25,32H,2,7-10,18-19H2,1,3-6H3;4-11,14-15,21,24-25,31-32H,1,12-13,16-20H2,2-3H3;10-16,22,30H,2,6-9,17-18H2,1,3-5H3;5-9,11,13-15,20,23,29-30H,2,4,10,12,16-18H2,1,3H3;5-7,10-11,13-14,16-17,20,23,29H,1,8-9,12,15,18H2,2-4H3;4-11,16,28H,1,12-13H2,2-3H3;4-12,18,24H,1,13-14H2,2-3H3
InChIKeyLKHUGAXNGCVKQG-UHFFFAOYSA-N
MW4767.95 g/mol
LogP53.07
Rot. Bonds129

About [6-[1-ethyl-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxy-5-hydroxy-2-(hydroxymethyl)hexyl] prop-2-enoate;[6-(1-ethyl-2-phenylindol-6-yl)oxy-5-hydroxy-2-(hydroxymethyl)hexyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-(2-methylpropyl)indol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[1-(2-methylpropyl)-2-phenylindol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-[2-[4-(3-methoxypropyl)phenyl]-1-propan-2-ylindol-6-yl]oxyhexyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-[1-methyl-2-[2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-(2-phenyl-1-propan-2-ylindol-6-yl)oxyhexyl] 2-methylprop-2-enoate

[6-[1-ethyl-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxy-5-hydroxy-2-(hydroxymethyl)hexyl] prop-2-enoate;[6-(1-ethyl-2-phenylindol-6-yl)oxy-5-hydroxy-2-(hydroxymethyl)hexyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-(2-methylpropyl)indol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[1-(2-methylpropyl)-2-phenylindol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-[2-[4-(3-methoxypropyl)phenyl]-1-propan-2-ylindol-6-yl]oxyhexyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-[1-methyl-2-[2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-(2-phenyl-1-propan-2-ylindol-6-yl)oxyhexyl] 2-methylprop-2-enoate (PubChem CID 159375899) has the molecular formula C283H353F3N10O51 and a molecular weight of 4767.95 g/mol. Its IUPAC name is [6-[1-ethyl-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxy-5-hydroxy-2-(hydroxymethyl)hexyl] prop-2-enoate;[6-(1-ethyl-2-phenylindol-6-yl)oxy-5-hydroxy-2-(hydroxymethyl)hexyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-(2-methylpropyl)indol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[1-(2-methylpropyl)-2-phenylindol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-[2-[4-(3-methoxypropyl)phenyl]-1-propan-2-ylindol-6-yl]oxyhexyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-[1-methyl-2-[2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-(2-phenyl-1-propan-2-ylindol-6-yl)oxyhexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[6-[1-ethyl-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxy-5-hydroxy-2-(hydroxymethyl)hexyl] prop-2-enoate;[6-(1-ethyl-2-phenylindol-6-yl)oxy-5-hydroxy-2-(hydroxymethyl)hexyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-(2-methylpropyl)indol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[1-(2-methylpropyl)-2-phenylindol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-[2-[4-(3-methoxypropyl)phenyl]-1-propan-2-ylindol-6-yl]oxyhexyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-[1-methyl-2-[2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-(2-phenyl-1-propan-2-ylindol-6-yl)oxyhexyl] 2-methylprop-2-enoate
PubChem CID159375899
Molecular FormulaC283H353F3N10O51
Molecular Weight4767.95 g/mol
Exact Mass4764.53
IUPAC Name[6-[1-ethyl-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxy-5-hydroxy-2-(hydroxymethyl)hexyl] prop-2-enoate;[6-(1-ethyl-2-phenylindol-6-yl)oxy-5-hydroxy-2-(hydroxymethyl)hexyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-(2-methylpropyl)indol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[1-(2-methylpropyl)-2-phenylindol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-[2-[4-(3-methoxypropyl)phenyl]-1-propan-2-ylindol-6-yl]oxyhexyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-[1-methyl-2-[2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-(2-phenyl-1-propan-2-ylindol-6-yl)oxyhexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CO)CCC(O)COc1ccc2cc(-c3ccccc3)n(CC)c2c1.C=C(C)C(=O)OCC(O)COc1ccc2cc(-c3ccc(CCCCC)cc3C)n(C(C)C)c2c1.C=C(C)C(=O)OCC(O)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(C)c2c1.C=C(C)C(=O)OCC(O)COc1ccc2cc(-c3ccccc3)n(C)c2c1.C=C(C)C(=O)OCC(O)COc1ccc2cc(-c3ccccc3OC(F)(F)F)n(C)c2c1.C=C(C)C(=O)OCCCCC(O)COc1ccc2cc(-c3ccccc3)n(C(C)C)c2c1.C=CC(=O)OCC(CO)CCC(O)COc1ccc2cc(-c3ccc(CCCCC)cc3C)n(CC)c2c1.C=CC(=O)OCC(O)COCCOCC(O)COc1ccc2cc(-c3ccc(CCCCC)cc3C)n(CC(C)C)c2c1.C=CC(=O)OCC(O)COCCOCC(O)COc1ccc2cc(-c3ccccc3)n(CC(C)C)c2c1.C=CC(=O)OCCCCC(O)COc1ccc2cc(-c3ccc(CCCOC)cc3)n(C(C)C)c2c1
InChIInChI=1S/C35H49NO7.C32H43NO5.C30H39NO5.C30H39NO4.C29H37NO7.C28H35NO5.C27H33NO5.C27H33NO4.C23H22F3NO5.C22H23NO4/c1-6-8-9-10-27-11-14-32(26(5)17-27)34-18-28-12-13-31(19-33(28)36(34)20-25(3)4)42-23-29(37)21-40-15-16-41-22-30(38)24-43-35(39)7-2;1-5-8-9-10-24-12-16-29(23(4)17-24)31-18-26-13-15-28(19-30(26)33(31)7-3)37-22-27(35)14-11-25(20-34)21-38-32(36)6-2;1-5-30(33)35-18-7-6-10-26(32)21-36-27-16-15-25-19-28(31(22(2)3)29(25)20-27)24-13-11-23(12-14-24)9-8-17-34-4;1-7-8-9-10-23-11-14-27(22(6)15-23)29-16-24-12-13-26(17-28(24)31(29)21(4)5)34-18-25(32)19-35-30(33)20(2)3;1-4-29(33)37-20-25(32)18-35-13-12-34-17-24(31)19-36-26-11-10-23-14-27(22-8-6-5-7-9-22)30(16-21(2)3)28(23)15-26;1-6-7-8-9-20-10-13-24(27(14-20)32-5)26-15-21-11-12-23(16-25(21)29(26)4)33-17-22(30)18-34-28(31)19(2)3;1-4-28-25(21-8-6-5-7-9-21)14-22-11-13-24(15-26(22)28)32-18-23(30)12-10-20(16-29)17-33-27(31)19(2)3;1-19(2)27(30)31-15-9-8-12-23(29)18-32-24-14-13-22-16-25(21-10-6-5-7-11-21)28(20(3)4)26(22)17-24;1-14(2)22(29)31-13-16(28)12-30-17-9-8-15-10-20(27(3)19(15)11-17)18-6-4-5-7-21(18)32-23(24,25)26;1-15(2)22(25)27-14-18(24)13-26-19-10-9-17-11-20(23(3)21(17)12-19)16-7-5-4-6-8-16/h7,11-14,17-19,25,29-30,37-38H,2,6,8-10,15-16,20-24H2,1,3-5H3;6,12-13,15-19,25,27,34-35H,2,5,7-11,14,20-22H2,1,3-4H3;5,11-16,19-20,22,26,32H,1,6-10,17-18,21H2,2-4H3;11-17,21,25,32H,2,7-10,18-19H2,1,3-6H3;4-11,14-15,21,24-25,31-32H,1,12-13,16-20H2,2-3H3;10-16,22,30H,2,6-9,17-18H2,1,3-5H3;5-9,11,13-15,20,23,29-30H,2,4,10,12,16-18H2,1,3H3;5-7,10-11,13-14,16-17,20,23,29H,1,8-9,12,15,18H2,2-4H3;4-11,16,28H,1,12-13H2,2-3H3;4-12,18,24H,1,13-14H2,2-3H3
InChIKeyLKHUGAXNGCVKQG-UHFFFAOYSA-N
XLogP53.07
TPSA752.43 Ų
H-Bond Donors14
H-Bond Acceptors61
Rotatable Bonds129
Heavy Atoms347
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004767.95
LogP ≤ 553.07
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1061

Analyze [6-[1-ethyl-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxy-5-hydroxy-2-(hydroxymethyl)hexyl] prop-2-enoate;[6-(1-ethyl-2-phenylindol-6-yl)oxy-5-hydroxy-2-(hydroxymethyl)hexyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-(2-methylpropyl)indol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[1-(2-methylpropyl)-2-phenylindol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-[2-[4-(3-methoxypropyl)phenyl]-1-propan-2-ylindol-6-yl]oxyhexyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-[1-methyl-2-[2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-(2-phenyl-1-propan-2-ylindol-6-yl)oxyhexyl] 2-methylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[1-ethyl-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxy-5-hydroxy-2-(hydroxymethyl)hexyl] prop-2-enoate;[6-(1-ethyl-2-phenylindol-6-yl)oxy-5-hydroxy-2-(hydroxymethyl)hexyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-(2-methylpropyl)indol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[1-(2-methylpropyl)-2-phenylindol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-[2-[4-(3-methoxypropyl)phenyl]-1-propan-2-ylindol-6-yl]oxyhexyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-[1-methyl-2-[2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-(2-phenyl-1-propan-2-ylindol-6-yl)oxyhexyl] 2-methylprop-2-enoate?
The IUPAC name of [6-[1-ethyl-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxy-5-hydroxy-2-(hydroxymethyl)hexyl] prop-2-enoate;[6-(1-ethyl-2-phenylindol-6-yl)oxy-5-hydroxy-2-(hydroxymethyl)hexyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-(2-methylpropyl)indol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[1-(2-methylpropyl)-2-phenylindol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-[2-[4-(3-methoxypropyl)phenyl]-1-propan-2-ylindol-6-yl]oxyhexyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-[1-methyl-2-[2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-(2-phenyl-1-propan-2-ylindol-6-yl)oxyhexyl] 2-methylprop-2-enoate (CID 159375899) is [6-[1-ethyl-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxy-5-hydroxy-2-(hydroxymethyl)hexyl] prop-2-enoate;[6-(1-ethyl-2-phenylindol-6-yl)oxy-5-hydroxy-2-(hydroxymethyl)hexyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-(2-methylpropyl)indol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[1-(2-methylpropyl)-2-phenylindol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-[2-[4-(3-methoxypropyl)phenyl]-1-propan-2-ylindol-6-yl]oxyhexyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-[1-methyl-2-[2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-(2-phenyl-1-propan-2-ylindol-6-yl)oxyhexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [6-[1-ethyl-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxy-5-hydroxy-2-(hydroxymethyl)hexyl] prop-2-enoate;[6-(1-ethyl-2-phenylindol-6-yl)oxy-5-hydroxy-2-(hydroxymethyl)hexyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-(2-methylpropyl)indol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[1-(2-methylpropyl)-2-phenylindol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-[2-[4-(3-methoxypropyl)phenyl]-1-propan-2-ylindol-6-yl]oxyhexyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-[1-methyl-2-[2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-(2-phenyl-1-propan-2-ylindol-6-yl)oxyhexyl] 2-methylprop-2-enoate?
The canonical SMILES for [6-[1-ethyl-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxy-5-hydroxy-2-(hydroxymethyl)hexyl] prop-2-enoate;[6-(1-ethyl-2-phenylindol-6-yl)oxy-5-hydroxy-2-(hydroxymethyl)hexyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-(2-methylpropyl)indol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[1-(2-methylpropyl)-2-phenylindol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-[2-[4-(3-methoxypropyl)phenyl]-1-propan-2-ylindol-6-yl]oxyhexyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-[1-methyl-2-[2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-(2-phenyl-1-propan-2-ylindol-6-yl)oxyhexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CO)CCC(O)COc1ccc2cc(-c3ccccc3)n(CC)c2c1.C=C(C)C(=O)OCC(O)COc1ccc2cc(-c3ccc(CCCCC)cc3C)n(C(C)C)c2c1.C=C(C)C(=O)OCC(O)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(C)c2c1.C=C(C)C(=O)OCC(O)COc1ccc2cc(-c3ccccc3)n(C)c2c1.C=C(C)C(=O)OCC(O)COc1ccc2cc(-c3ccccc3OC(F)(F)F)n(C)c2c1.C=C(C)C(=O)OCCCCC(O)COc1ccc2cc(-c3ccccc3)n(C(C)C)c2c1.C=CC(=O)OCC(CO)CCC(O)COc1ccc2cc(-c3ccc(CCCCC)cc3C)n(CC)c2c1.C=CC(=O)OCC(O)COCCOCC(O)COc1ccc2cc(-c3ccc(CCCCC)cc3C)n(CC(C)C)c2c1.C=CC(=O)OCC(O)COCCOCC(O)COc1ccc2cc(-c3ccccc3)n(CC(C)C)c2c1.C=CC(=O)OCCCCC(O)COc1ccc2cc(-c3ccc(CCCOC)cc3)n(C(C)C)c2c1.
What is the InChIKey of [6-[1-ethyl-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxy-5-hydroxy-2-(hydroxymethyl)hexyl] prop-2-enoate;[6-(1-ethyl-2-phenylindol-6-yl)oxy-5-hydroxy-2-(hydroxymethyl)hexyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-(2-methylpropyl)indol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[1-(2-methylpropyl)-2-phenylindol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-[2-[4-(3-methoxypropyl)phenyl]-1-propan-2-ylindol-6-yl]oxyhexyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-[1-methyl-2-[2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-(2-phenyl-1-propan-2-ylindol-6-yl)oxyhexyl] 2-methylprop-2-enoate?
The InChIKey is LKHUGAXNGCVKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H49NO7.C32H43NO5.C30H39NO5.C30H39NO4.C29H37NO7.C28H35NO5.C27H33NO5.C27H33NO4.C23H22F3NO5.C22H23NO4/c1-6-8-9-10-27-11-14-32(26(5)17-27)34-18-28-12-13-31(19-33(28)36(34)20-25(3)4)42-23-29(37)21-40-15-16-41-22-30(38)24-43-35(39)7-2;1-5-8-9-10-24-12-16-29(23(4)17-24)31-18-26-13-15-28(19-30(26)33(31)7-3)37-22-27(35)14-11-25(20-34)21-38-32(36)6-2;1-5-30(33)35-18-7-6-10-26(32)21-36-27-16-15-25-19-28(31(22(2)3)29(25)20-27)24-13-11-23(12-14-24)9-8-17-34-4;1-7-8-9-10-23-11-14-27(22(6)15-23)29-16-24-12-13-26(17-28(24)31(29)21(4)5)34-18-25(32)19-35-30(33)20(2)3;1-4-29(33)37-20-25(32)18-35-13-12-34-17-24(31)19-36-26-11-10-23-14-27(22-8-6-5-7-9-22)30(16-21(2)3)28(23)15-26;1-6-7-8-9-20-10-13-24(27(14-20)32-5)26-15-21-11-12-23(16-25(21)29(26)4)33-17-22(30)18-34-28(31)19(2)3;1-4-28-25(21-8-6-5-7-9-21)14-22-11-13-24(15-26(22)28)32-18-23(30)12-10-20(16-29)17-33-27(31)19(2)3;1-19(2)27(30)31-15-9-8-12-23(29)18-32-24-14-13-22-16-25(21-10-6-5-7-11-21)28(20(3)4)26(22)17-24;1-14(2)22(29)31-13-16(28)12-30-17-9-8-15-10-20(27(3)19(15)11-17)18-6-4-5-7-21(18)32-23(24,25)26;1-15(2)22(25)27-14-18(24)13-26-19-10-9-17-11-20(23(3)21(17)12-19)16-7-5-4-6-8-16/h7,11-14,17-19,25,29-30,37-38H,2,6,8-10,15-16,20-24H2,1,3-5H3;6,12-13,15-19,25,27,34-35H,2,5,7-11,14,20-22H2,1,3-4H3;5,11-16,19-20,22,26,32H,1,6-10,17-18,21H2,2-4H3;11-17,21,25,32H,2,7-10,18-19H2,1,3-6H3;4-11,14-15,21,24-25,31-32H,1,12-13,16-20H2,2-3H3;10-16,22,30H,2,6-9,17-18H2,1,3-5H3;5-9,11,13-15,20,23,29-30H,2,4,10,12,16-18H2,1,3H3;5-7,10-11,13-14,16-17,20,23,29H,1,8-9,12,15,18H2,2-4H3;4-11,16,28H,1,12-13H2,2-3H3;4-12,18,24H,1,13-14H2,2-3H3.
What are the key properties of [6-[1-ethyl-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxy-5-hydroxy-2-(hydroxymethyl)hexyl] prop-2-enoate;[6-(1-ethyl-2-phenylindol-6-yl)oxy-5-hydroxy-2-(hydroxymethyl)hexyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-(2-methylpropyl)indol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[1-(2-methylpropyl)-2-phenylindol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-[2-[4-(3-methoxypropyl)phenyl]-1-propan-2-ylindol-6-yl]oxyhexyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-[1-methyl-2-[2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-(2-phenyl-1-propan-2-ylindol-6-yl)oxyhexyl] 2-methylprop-2-enoate?
[6-[1-ethyl-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxy-5-hydroxy-2-(hydroxymethyl)hexyl] prop-2-enoate;[6-(1-ethyl-2-phenylindol-6-yl)oxy-5-hydroxy-2-(hydroxymethyl)hexyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-(2-methylpropyl)indol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[1-(2-methylpropyl)-2-phenylindol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-[2-[4-(3-methoxypropyl)phenyl]-1-propan-2-ylindol-6-yl]oxyhexyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-[1-methyl-2-[2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-(2-phenyl-1-propan-2-ylindol-6-yl)oxyhexyl] 2-methylprop-2-enoate has a molecular weight of 4767.95 g/mol, XLogP of 53.07, 129 rotatable bonds, 14 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-ethyl-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxy-5-hydroxy-2-(hydroxymethyl)hexyl] prop-2-enoate;[6-(1-ethyl-2-phenylindol-6-yl)oxy-5-hydroxy-2-(hydroxymethyl)hexyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-(2-methylpropyl)indol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-[2-hydroxy-3-[1-(2-methylpropyl)-2-phenylindol-6-yl]oxypropoxy]ethoxy]propyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-[2-[4-(3-methoxypropyl)phenyl]-1-propan-2-ylindol-6-yl]oxyhexyl] prop-2-enoate;[2-hydroxy-3-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-[1-methyl-2-[2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[5-hydroxy-6-(2-phenyl-1-propan-2-ylindol-6-yl)oxyhexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 159375899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).