[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] prop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate

C273H316F12N2O34S10 — CID 158720881

IUPAC[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] prop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)sc2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)sc2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)sc2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)sc2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3cccnc3)sc2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)sc2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)sc2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)sc2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)sc2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3cccnc3)sc2c1
InChIInChI=1S/C30H38O3S.C29H33F3O4S.C29H33F3O3S.C29H36O4S.C29H36O3S.C28H31F3O4S.C28H31F3O3S.C28H34O4S.C22H23NO3S.C21H21NO3S/c1-7-9-10-11-22-12-15-26(23(8-2)16-22)28-17-24-13-14-25(18-27(24)34-28)32-19-30(5,6)20-33-29(31)21(3)4;1-6-7-8-9-20-10-13-23(24(14-20)36-29(30,31)32)26-15-21-11-12-22(16-25(21)37-26)34-17-28(4,5)18-35-27(33)19(2)3;1-6-7-8-9-20-10-13-23(24(14-20)29(30,31)32)26-15-21-11-12-22(16-25(21)36-26)34-17-28(4,5)18-35-27(33)19(2)3;1-7-8-9-10-21-11-14-24(25(15-21)31-6)27-16-22-12-13-23(17-26(22)34-27)32-18-29(4,5)19-33-28(30)20(2)3;1-6-9-10-11-21-12-15-25(22(7-2)16-21)27-17-23-13-14-24(18-26(23)33-27)31-19-29(4,5)20-32-28(30)8-3;1-5-7-8-9-19-10-13-22(23(14-19)35-28(29,30)31)25-15-20-11-12-21(16-24(20)36-25)33-17-27(3,4)18-34-26(32)6-2;1-5-7-8-9-19-10-13-22(23(14-19)28(29,30)31)25-15-20-11-12-21(16-24(20)35-25)33-17-27(3,4)18-34-26(32)6-2;1-6-8-9-10-20-11-14-23(24(15-20)30-5)26-16-21-12-13-22(17-25(21)33-26)31-18-28(3,4)19-32-27(29)7-2;1-15(2)21(24)26-14-22(3,4)13-25-18-8-7-16-10-19(27-20(16)11-18)17-6-5-9-23-12-17;1-4-20(23)25-14-21(2,3)13-24-17-8-7-15-10-18(26-19(15)11-17)16-6-5-9-22-12-16/h12-18H,3,7-11,19-20H2,1-2,4-6H3;10-16H,2,6-9,17-18H2,1,3-5H3;10-16H,2,6-9,17-18H2,1,3-5H3;11-17H,2,7-10,18-19H2,1,3-6H3;8,12-18H,3,6-7,9-11,19-20H2,1-2,4-5H3;6,10-16H,2,5,7-9,17-18H2,1,3-4H3;6,10-16H,2,5,7-9,17-18H2,1,3-4H3;7,11-17H,2,6,8-10,18-19H2,1,3-5H3;5-12H,1,13-14H2,2-4H3;4-12H,1,13-14H2,2-3H3
InChIKeyIJWZUKZROFFXTC-UHFFFAOYSA-N
MW4718.16 g/mol
LogP76.60
Rot. Bonds108

About [2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] prop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate

[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] prop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate (PubChem CID 158720881) has the molecular formula C273H316F12N2O34S10 and a molecular weight of 4718.16 g/mol. Its IUPAC name is [2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] prop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate.

Molecular Properties

Compound Name[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] prop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate
PubChem CID158720881
Molecular FormulaC273H316F12N2O34S10
Molecular Weight4718.16 g/mol
Exact Mass4714.01
IUPAC Name[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] prop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)sc2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)sc2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)sc2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)sc2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3cccnc3)sc2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)sc2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)sc2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)sc2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)sc2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3cccnc3)sc2c1
InChIInChI=1S/C30H38O3S.C29H33F3O4S.C29H33F3O3S.C29H36O4S.C29H36O3S.C28H31F3O4S.C28H31F3O3S.C28H34O4S.C22H23NO3S.C21H21NO3S/c1-7-9-10-11-22-12-15-26(23(8-2)16-22)28-17-24-13-14-25(18-27(24)34-28)32-19-30(5,6)20-33-29(31)21(3)4;1-6-7-8-9-20-10-13-23(24(14-20)36-29(30,31)32)26-15-21-11-12-22(16-25(21)37-26)34-17-28(4,5)18-35-27(33)19(2)3;1-6-7-8-9-20-10-13-23(24(14-20)29(30,31)32)26-15-21-11-12-22(16-25(21)36-26)34-17-28(4,5)18-35-27(33)19(2)3;1-7-8-9-10-21-11-14-24(25(15-21)31-6)27-16-22-12-13-23(17-26(22)34-27)32-18-29(4,5)19-33-28(30)20(2)3;1-6-9-10-11-21-12-15-25(22(7-2)16-21)27-17-23-13-14-24(18-26(23)33-27)31-19-29(4,5)20-32-28(30)8-3;1-5-7-8-9-19-10-13-22(23(14-19)35-28(29,30)31)25-15-20-11-12-21(16-24(20)36-25)33-17-27(3,4)18-34-26(32)6-2;1-5-7-8-9-19-10-13-22(23(14-19)28(29,30)31)25-15-20-11-12-21(16-24(20)35-25)33-17-27(3,4)18-34-26(32)6-2;1-6-8-9-10-20-11-14-23(24(15-20)30-5)26-16-21-12-13-22(17-25(21)33-26)31-18-28(3,4)19-32-27(29)7-2;1-15(2)21(24)26-14-22(3,4)13-25-18-8-7-16-10-19(27-20(16)11-18)17-6-5-9-23-12-17;1-4-20(23)25-14-21(2,3)13-24-17-8-7-15-10-18(26-19(15)11-17)16-6-5-9-22-12-16/h12-18H,3,7-11,19-20H2,1-2,4-6H3;10-16H,2,6-9,17-18H2,1,3-5H3;10-16H,2,6-9,17-18H2,1,3-5H3;11-17H,2,7-10,18-19H2,1,3-6H3;8,12-18H,3,6-7,9-11,19-20H2,1-2,4-5H3;6,10-16H,2,5,7-9,17-18H2,1,3-4H3;6,10-16H,2,5,7-9,17-18H2,1,3-4H3;7,11-17H,2,6,8-10,18-19H2,1,3-5H3;5-12H,1,13-14H2,2-4H3;4-12H,1,13-14H2,2-3H3
InChIKeyIJWZUKZROFFXTC-UHFFFAOYSA-N
XLogP76.60
TPSA418.00 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds108
Heavy Atoms331
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004718.16
LogP ≤ 576.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Analyze [2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] prop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] prop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate?
The IUPAC name of [2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] prop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate (CID 158720881) is [2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] prop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate.
What is the SMILES notation for [2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] prop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate?
The canonical SMILES for [2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] prop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate is C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)sc2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)sc2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)sc2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)sc2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3cccnc3)sc2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)sc2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)sc2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)sc2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)sc2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3cccnc3)sc2c1.
What is the InChIKey of [2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] prop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate?
The InChIKey is IJWZUKZROFFXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O3S.C29H33F3O4S.C29H33F3O3S.C29H36O4S.C29H36O3S.C28H31F3O4S.C28H31F3O3S.C28H34O4S.C22H23NO3S.C21H21NO3S/c1-7-9-10-11-22-12-15-26(23(8-2)16-22)28-17-24-13-14-25(18-27(24)34-28)32-19-30(5,6)20-33-29(31)21(3)4;1-6-7-8-9-20-10-13-23(24(14-20)36-29(30,31)32)26-15-21-11-12-22(16-25(21)37-26)34-17-28(4,5)18-35-27(33)19(2)3;1-6-7-8-9-20-10-13-23(24(14-20)29(30,31)32)26-15-21-11-12-22(16-25(21)36-26)34-17-28(4,5)18-35-27(33)19(2)3;1-7-8-9-10-21-11-14-24(25(15-21)31-6)27-16-22-12-13-23(17-26(22)34-27)32-18-29(4,5)19-33-28(30)20(2)3;1-6-9-10-11-21-12-15-25(22(7-2)16-21)27-17-23-13-14-24(18-26(23)33-27)31-19-29(4,5)20-32-28(30)8-3;1-5-7-8-9-19-10-13-22(23(14-19)35-28(29,30)31)25-15-20-11-12-21(16-24(20)36-25)33-17-27(3,4)18-34-26(32)6-2;1-5-7-8-9-19-10-13-22(23(14-19)28(29,30)31)25-15-20-11-12-21(16-24(20)35-25)33-17-27(3,4)18-34-26(32)6-2;1-6-8-9-10-20-11-14-23(24(15-20)30-5)26-16-21-12-13-22(17-25(21)33-26)31-18-28(3,4)19-32-27(29)7-2;1-15(2)21(24)26-14-22(3,4)13-25-18-8-7-16-10-19(27-20(16)11-18)17-6-5-9-23-12-17;1-4-20(23)25-14-21(2,3)13-24-17-8-7-15-10-18(26-19(15)11-17)16-6-5-9-22-12-16/h12-18H,3,7-11,19-20H2,1-2,4-6H3;10-16H,2,6-9,17-18H2,1,3-5H3;10-16H,2,6-9,17-18H2,1,3-5H3;11-17H,2,7-10,18-19H2,1,3-6H3;8,12-18H,3,6-7,9-11,19-20H2,1-2,4-5H3;6,10-16H,2,5,7-9,17-18H2,1,3-4H3;6,10-16H,2,5,7-9,17-18H2,1,3-4H3;7,11-17H,2,6,8-10,18-19H2,1,3-5H3;5-12H,1,13-14H2,2-4H3;4-12H,1,13-14H2,2-3H3.
What are the key properties of [2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] prop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate?
[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] prop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate has a molecular weight of 4718.16 g/mol, XLogP of 76.60, 108 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxy]propyl] prop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]propyl] prop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] prop-2-enoate is sourced from PubChem (CID 158720881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).