4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene

C187H235F7N6O10S — CID 159644134

IUPAC4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene
SMILESCC(C)(C)c1cc(F)cc2ccoc12.CC(C)(C)c1ccc(C(F)(F)F)o1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1cccc2c1OCC2.CC(C)(C)c1cccc2c1OCO2.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2ccoc12.CC(C)(C)c1cccc2occc12.CC(C)(C)c1csc(C(F)(F)F)c1.Cc1ccc(C(C)(C)C)o1.Cn1c(C(C)(C)C)cc2ccccc21.Cn1cc(C(C)(C)C)c2ccccc21.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ccc2cccc(C(C)(C)C)c21
InChIInChI=1S/5C13H17N.C12H13FO.C12H15N.3C12H14O.C12H16O.C12H14O.C11H14O2.C9H11F3O.C9H11F3S.C9H14O/c1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-13(2,3)11-7-5-6-10-8-9-14(4)12(10)11;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-12(2,3)10-7-9(13)6-8-4-5-14-11(8)10;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;2*1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-8(2,3)6-4-5-7(13-6)9(10,11)12;1-8(2,3)6-4-7(13-5-6)9(10,11)12;1-7-5-6-8(10-7)9(2,3)4/h5*5-9H,1-4H3;4-7H,1-3H3;4-8,13H,1-3H3;3*4-8H,1-3H3;4-6H,7-8H2,1-3H3;4-8H,1-3H3;4-6H,7H2,1-3H3;2*4-5H,1-3H3;5-6H,1-4H3
InChIKeyMQSVPUHSQWRMGA-UHFFFAOYSA-N
MW2892.02 g/mol
LogP55.81
Rot. Bonds

About 4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene

4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene (PubChem CID 159644134) has the molecular formula C187H235F7N6O10S and a molecular weight of 2892.02 g/mol. Its IUPAC name is 4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene
PubChem CID159644134
Molecular FormulaC187H235F7N6O10S
Molecular Weight2892.02 g/mol
Exact Mass2889.77
IUPAC Name4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene
SMILESCC(C)(C)c1cc(F)cc2ccoc12.CC(C)(C)c1ccc(C(F)(F)F)o1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1cccc2c1OCC2.CC(C)(C)c1cccc2c1OCO2.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2ccoc12.CC(C)(C)c1cccc2occc12.CC(C)(C)c1csc(C(F)(F)F)c1.Cc1ccc(C(C)(C)C)o1.Cn1c(C(C)(C)C)cc2ccccc21.Cn1cc(C(C)(C)C)c2ccccc21.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ccc2cccc(C(C)(C)C)c21
InChIInChI=1S/5C13H17N.C12H13FO.C12H15N.3C12H14O.C12H16O.C12H14O.C11H14O2.C9H11F3O.C9H11F3S.C9H14O/c1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-13(2,3)11-7-5-6-10-8-9-14(4)12(10)11;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-12(2,3)10-7-9(13)6-8-4-5-14-11(8)10;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;2*1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-8(2,3)6-4-5-7(13-6)9(10,11)12;1-8(2,3)6-4-7(13-5-6)9(10,11)12;1-7-5-6-8(10-7)9(2,3)4/h5*5-9H,1-4H3;4-7H,1-3H3;4-8,13H,1-3H3;3*4-8H,1-3H3;4-6H,7-8H2,1-3H3;4-8H,1-3H3;4-6H,7H2,1-3H3;2*4-5H,1-3H3;5-6H,1-4H3
InChIKeyMQSVPUHSQWRMGA-UHFFFAOYSA-N
XLogP55.81
TPSA160.11 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002892.02
LogP ≤ 555.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene with MolForge

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Related Compounds

4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene;ethane
CID 157860503
2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,4-dimethylindole;1,6-dimethyl-2H-indol-3-one;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indene;5-methyl-2,3-dihydroinden-1-one;5-methyl-1,3-dihydroindol-2-one;6-methyl-1,2-dihydroindol-3-one;4-methyl-1H-indole
CID 157905003
CID 157949458
CID 157949458
2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole
CID 158002314
cumene;1-ethyl-3-propan-2-ylpyridin-1-ium;4-methoxy-6-propan-2-yl-1,3-benzodioxole;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;3-propan-2-yl-1-benzothiophene;3-propan-2-yl-9H-fluorene;2-propan-2-ylfuran;3-propan-2-yl-1H-indole;bis(1-propan-2-ylnaphthalene);2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-propan-2-ylbenzene
CID 158087539
cumene;1-ethyl-3-propan-2-ylpyridin-1-ium;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-methoxy-6-propan-2-yl-1,3-benzodioxole;2-methyl-4-propan-2-ylphenol;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;3-propan-2-yl-1-benzothiophene;3-propan-2-yl-9H-fluorene;2-propan-2-ylfuran;3-propan-2-yl-1H-indole;bis(1-propan-2-ylnaphthalene);2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-propan-2-ylbenzene
CID 158356123
bis(3-chloro-2-propan-2-yl-1-benzofuran);3,6-dimethyl-5-propan-2-yl-1H-indole;3,7-dimethyl-2-propan-2-yl-1H-indole;2,3-di(propan-2-yl)-1-benzofuran;3-ethenyl-2-propan-2-yl-1H-indole;7-ethyl-3-methyl-2-propan-2-yl-1H-indole;3-ethyl-2-propan-2-yl-1-benzofuran;3-ethyl-2-propan-2-yl-1H-indole;5-fluoro-3-methyl-2-propan-2-yl-1-benzothiophene;1-methoxy-3-propan-2-yl-2-propoxybenzene;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;1-methyl-2-propan-2-ylindole;3-methyl-2-propan-2-yl-7-(trifluoromethyl)-1H-indole;5-propan-2-yl-1,2-dihydroacenaphthylene
CID 158806482
cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 158835435
2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;5-methyl-1,3-dihydroindol-2-one;6-methyl-1H-indene;4-methyl-1H-indole
CID 158928204
2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;trihydrochloride
CID 160348180
N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide
CID 160677728
2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 160698116

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene?
The IUPAC name of 4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene (CID 159644134) is 4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene.
What is the SMILES notation for 4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene?
The canonical SMILES for 4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene is CC(C)(C)c1cc(F)cc2ccoc12.CC(C)(C)c1ccc(C(F)(F)F)o1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1cccc2c1OCC2.CC(C)(C)c1cccc2c1OCO2.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2ccoc12.CC(C)(C)c1cccc2occc12.CC(C)(C)c1csc(C(F)(F)F)c1.Cc1ccc(C(C)(C)C)o1.Cn1c(C(C)(C)C)cc2ccccc21.Cn1cc(C(C)(C)C)c2ccccc21.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ccc2cccc(C(C)(C)C)c21.
What is the InChIKey of 4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene?
The InChIKey is MQSVPUHSQWRMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/5C13H17N.C12H13FO.C12H15N.3C12H14O.C12H16O.C12H14O.C11H14O2.C9H11F3O.C9H11F3S.C9H14O/c1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-13(2,3)11-7-5-6-10-8-9-14(4)12(10)11;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-12(2,3)10-7-9(13)6-8-4-5-14-11(8)10;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;2*1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-8(2,3)6-4-5-7(13-6)9(10,11)12;1-8(2,3)6-4-7(13-5-6)9(10,11)12;1-7-5-6-8(10-7)9(2,3)4/h5*5-9H,1-4H3;4-7H,1-3H3;4-8,13H,1-3H3;3*4-8H,1-3H3;4-6H,7-8H2,1-3H3;4-8H,1-3H3;4-6H,7H2,1-3H3;2*4-5H,1-3H3;5-6H,1-4H3.
What are the key properties of 4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene?
4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene has a molecular weight of 2892.02 g/mol, XLogP of 55.81, 0 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene is sourced from PubChem (CID 159644134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).