2-tert-butyl-1-benzofuran;tert-butylcyclopropane;2-tert-butyl-1,3-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;3-tert-butyl-2,5-dimethylfuran;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;(2,2-dimethyl-1-phenylpropyl)benzene;N,N-dimethyl-4-(3-propan-2-ylphenyl)aniline;1,3-dimethyl-2-(3-propan-2-ylphenyl)benzene;3-methyl-N-propan-2-ylaniline;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-(3-propan-2-ylphenyl)benzene);4-(3-propan-2-ylphenyl)morpholine;5-(3-propan-2-ylphenyl)-2H-pyrrole;2-(3-propan-2-ylphenyl)thiophene

C229H298N6O7S — CID 159606197

IUPAC2-tert-butyl-1-benzofuran;tert-butylcyclopropane;2-tert-butyl-1,3-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;3-tert-butyl-2,5-dimethylfuran;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;(2,2-dimethyl-1-phenylpropyl)benzene;N,N-dimethyl-4-(3-propan-2-ylphenyl)aniline;1,3-dimethyl-2-(3-propan-2-ylphenyl)benzene;3-methyl-N-propan-2-ylaniline;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-(3-propan-2-ylphenyl)benzene);4-(3-propan-2-ylphenyl)morpholine;5-(3-propan-2-ylphenyl)-2H-pyrrole;2-(3-propan-2-ylphenyl)thiophene
SMILESCC(C)(C)C(c1ccccc1)c1ccccc1.CC(C)(C)C1CC1.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)c1cccc(-c2ccc(N(C)C)cc2)c1.CC(C)c1cccc(-c2cccs2)c1.CC(C)c1cccc(C2=NCC=C2)c1.CC(C)c1cccc(N2CCOCC2)c1.COc1ccc(C(C)(C)C)cc1OC.COc1cccc(OC)c1C(C)(C)C.Cc1cc(C(C)(C)C)c(C)o1.Cc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C)c1-c1cccc(C(C)C)c1.Cc1cccc(NC(C)C)c1
InChIInChI=1S/C17H21N.2C17H20.2C16H18.C13H19NO.C13H15N.C13H14S.2C12H15N.2C12H18O2.C12H14O.C10H15N.C10H16O.2C10H14.C7H14/c1-13(2)15-6-5-7-16(12-15)14-8-10-17(11-9-14)18(3)4;1-12(2)15-9-6-10-16(11-15)17-13(3)7-5-8-14(17)4;1-17(2,3)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15;2*1-12(2)15-5-4-6-16(11-15)14-9-7-13(3)8-10-14;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;2*1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)9-6-7-10(13-4)11(8-9)14-5;1-12(2,3)11-9(13-4)7-6-8-10(11)14-5;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-8(2)11-10-6-4-5-9(3)7-10;1-7-6-9(8(2)11-7)10(3,4)5;2*1-8(2)10-6-4-5-9(3)7-10;1-7(2,3)6-4-5-6/h5-13H,1-4H3;5-12H,1-4H3;4-13,16H,1-3H3;2*4-12H,1-3H3;3-5,10-11H,6-9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-10H,1-2H3;2*4-8,13H,1-3H3;2*6-8H,1-5H3;4-8H,1-3H3;4-8,11H,1-3H3;6H,1-5H3;2*4-8H,1-3H3;6H,4-5H2,1-3H3
InChIKeyMMCMOUBDECPEOH-UHFFFAOYSA-N
MW3279.00 g/mol
LogP65.78
Rot. Bonds25

About 2-tert-butyl-1-benzofuran;tert-butylcyclopropane;2-tert-butyl-1,3-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;3-tert-butyl-2,5-dimethylfuran;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;(2,2-dimethyl-1-phenylpropyl)benzene;N,N-dimethyl-4-(3-propan-2-ylphenyl)aniline;1,3-dimethyl-2-(3-propan-2-ylphenyl)benzene;3-methyl-N-propan-2-ylaniline;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-(3-propan-2-ylphenyl)benzene);4-(3-propan-2-ylphenyl)morpholine;5-(3-propan-2-ylphenyl)-2H-pyrrole;2-(3-propan-2-ylphenyl)thiophene

2-tert-butyl-1-benzofuran;tert-butylcyclopropane;2-tert-butyl-1,3-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;3-tert-butyl-2,5-dimethylfuran;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;(2,2-dimethyl-1-phenylpropyl)benzene;N,N-dimethyl-4-(3-propan-2-ylphenyl)aniline;1,3-dimethyl-2-(3-propan-2-ylphenyl)benzene;3-methyl-N-propan-2-ylaniline;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-(3-propan-2-ylphenyl)benzene);4-(3-propan-2-ylphenyl)morpholine;5-(3-propan-2-ylphenyl)-2H-pyrrole;2-(3-propan-2-ylphenyl)thiophene (PubChem CID 159606197) has the molecular formula C229H298N6O7S and a molecular weight of 3279.00 g/mol. Its IUPAC name is 2-tert-butyl-1-benzofuran;tert-butylcyclopropane;2-tert-butyl-1,3-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;3-tert-butyl-2,5-dimethylfuran;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;(2,2-dimethyl-1-phenylpropyl)benzene;N,N-dimethyl-4-(3-propan-2-ylphenyl)aniline;1,3-dimethyl-2-(3-propan-2-ylphenyl)benzene;3-methyl-N-propan-2-ylaniline;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-(3-propan-2-ylphenyl)benzene);4-(3-propan-2-ylphenyl)morpholine;5-(3-propan-2-ylphenyl)-2H-pyrrole;2-(3-propan-2-ylphenyl)thiophene.

Molecular Properties

Compound Name2-tert-butyl-1-benzofuran;tert-butylcyclopropane;2-tert-butyl-1,3-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;3-tert-butyl-2,5-dimethylfuran;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;(2,2-dimethyl-1-phenylpropyl)benzene;N,N-dimethyl-4-(3-propan-2-ylphenyl)aniline;1,3-dimethyl-2-(3-propan-2-ylphenyl)benzene;3-methyl-N-propan-2-ylaniline;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-(3-propan-2-ylphenyl)benzene);4-(3-propan-2-ylphenyl)morpholine;5-(3-propan-2-ylphenyl)-2H-pyrrole;2-(3-propan-2-ylphenyl)thiophene
PubChem CID159606197
Molecular FormulaC229H298N6O7S
Molecular Weight3279.00 g/mol
Exact Mass3276.29
IUPAC Name2-tert-butyl-1-benzofuran;tert-butylcyclopropane;2-tert-butyl-1,3-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;3-tert-butyl-2,5-dimethylfuran;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;(2,2-dimethyl-1-phenylpropyl)benzene;N,N-dimethyl-4-(3-propan-2-ylphenyl)aniline;1,3-dimethyl-2-(3-propan-2-ylphenyl)benzene;3-methyl-N-propan-2-ylaniline;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-(3-propan-2-ylphenyl)benzene);4-(3-propan-2-ylphenyl)morpholine;5-(3-propan-2-ylphenyl)-2H-pyrrole;2-(3-propan-2-ylphenyl)thiophene
SMILESCC(C)(C)C(c1ccccc1)c1ccccc1.CC(C)(C)C1CC1.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)c1cccc(-c2ccc(N(C)C)cc2)c1.CC(C)c1cccc(-c2cccs2)c1.CC(C)c1cccc(C2=NCC=C2)c1.CC(C)c1cccc(N2CCOCC2)c1.COc1ccc(C(C)(C)C)cc1OC.COc1cccc(OC)c1C(C)(C)C.Cc1cc(C(C)(C)C)c(C)o1.Cc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C)c1-c1cccc(C(C)C)c1.Cc1cccc(NC(C)C)c1
InChIInChI=1S/C17H21N.2C17H20.2C16H18.C13H19NO.C13H15N.C13H14S.2C12H15N.2C12H18O2.C12H14O.C10H15N.C10H16O.2C10H14.C7H14/c1-13(2)15-6-5-7-16(12-15)14-8-10-17(11-9-14)18(3)4;1-12(2)15-9-6-10-16(11-15)17-13(3)7-5-8-14(17)4;1-17(2,3)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15;2*1-12(2)15-5-4-6-16(11-15)14-9-7-13(3)8-10-14;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;2*1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)9-6-7-10(13-4)11(8-9)14-5;1-12(2,3)11-9(13-4)7-6-8-10(11)14-5;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-8(2)11-10-6-4-5-9(3)7-10;1-7-6-9(8(2)11-7)10(3,4)5;2*1-8(2)10-6-4-5-9(3)7-10;1-7(2,3)6-4-5-6/h5-13H,1-4H3;5-12H,1-4H3;4-13,16H,1-3H3;2*4-12H,1-3H3;3-5,10-11H,6-9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-10H,1-2H3;2*4-8,13H,1-3H3;2*6-8H,1-5H3;4-8H,1-3H3;4-8,11H,1-3H3;6H,1-5H3;2*4-8H,1-3H3;6H,4-5H2,1-3H3
InChIKeyMMCMOUBDECPEOH-UHFFFAOYSA-N
XLogP65.78
TPSA134.88 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003279.00
LogP ≤ 565.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-tert-butyl-1-benzofuran;tert-butylcyclopropane;2-tert-butyl-1,3-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;3-tert-butyl-2,5-dimethylfuran;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;(2,2-dimethyl-1-phenylpropyl)benzene;N,N-dimethyl-4-(3-propan-2-ylphenyl)aniline;1,3-dimethyl-2-(3-propan-2-ylphenyl)benzene;3-methyl-N-propan-2-ylaniline;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-(3-propan-2-ylphenyl)benzene);4-(3-propan-2-ylphenyl)morpholine;5-(3-propan-2-ylphenyl)-2H-pyrrole;2-(3-propan-2-ylphenyl)thiophene with MolForge

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Related Compounds

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
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
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-2-thiophen-2-yl-9,10-dihydrophenanthrene-3-carboxamide
CID 71536665
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-2-(3-methylthiophen-2-yl)-9,10-dihydrophenanthrene-3-carboxamide
CID 71536943
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-2-thiophen-2-yl-9,10-dihydrophenanthrene-3-carboxamide
CID 78102894
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-2-(3-methylthiophen-2-yl)-9,10-dihydrophenanthrene-3-carboxamide
CID 78103018
1-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-2-(3-methylthiophen-2-yl)-9,10-dihydrophenanthrene-3-carboxamide
CID 140652713
tert-butylbenzene;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-1-benzothiophene;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
CID 157342503
4,17,30-Triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1(28),2(14),3(7),5,8,10,12,15(27),16(20),18,21,23,25,29(33),31,34,36,38-octadecaene;4,17,30-trioxadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1(28),2(14),3(7),5,8,10,12,15(27),16(20),18,21,23,25,29(33),31,34,36,38-octadecaene;4,17,30-trithiadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1(28),2(14),3(7),5,8,10,12,15(27),16(20),18,21,23,25,29(33),31,34,36,38-octadecaene
CID 157480112
1-(1,3-benzodioxol-5-yl)-N-[3-(1H-indol-6-yl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-thiophen-3-ylphenyl)cyclopropane-1-carboxamide;1-(2,3-dihydro-1-benzofuran-5-yl)-N-[3-(3-fluoro-4-methoxyphenyl)-4-methylphenyl]cyclopropane-1-carboxamide;4-methoxy-3-[5-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen
CID 157522689
16-(1-Benzothiophen-3-yl)-15-(3,5-diphenylphenyl)-11,26-dioxaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;16-dibenzofuran-2-yl-11,26-dioxaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;7,16-diphenyl-12-pyridin-3-yl-7,16-diazahexacyclo[11.11.0.02,10.04,8.015,23.017,22]tetracosa-1,3,5,8,10,12,14,17,19,21,23-undecaene;12-(4-methoxyphenyl)-7,16-diphenyl-7,16-diazahexacyclo[11.11.0.02,10.04,8.015,23.017,22]tetracosa-1,3,5,8,10,12,14,17,19,21,23-undecaene
CID 157634650

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzofuran;tert-butylcyclopropane;2-tert-butyl-1,3-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;3-tert-butyl-2,5-dimethylfuran;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;(2,2-dimethyl-1-phenylpropyl)benzene;N,N-dimethyl-4-(3-propan-2-ylphenyl)aniline;1,3-dimethyl-2-(3-propan-2-ylphenyl)benzene;3-methyl-N-propan-2-ylaniline;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-(3-propan-2-ylphenyl)benzene);4-(3-propan-2-ylphenyl)morpholine;5-(3-propan-2-ylphenyl)-2H-pyrrole;2-(3-propan-2-ylphenyl)thiophene?
The IUPAC name of 2-tert-butyl-1-benzofuran;tert-butylcyclopropane;2-tert-butyl-1,3-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;3-tert-butyl-2,5-dimethylfuran;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;(2,2-dimethyl-1-phenylpropyl)benzene;N,N-dimethyl-4-(3-propan-2-ylphenyl)aniline;1,3-dimethyl-2-(3-propan-2-ylphenyl)benzene;3-methyl-N-propan-2-ylaniline;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-(3-propan-2-ylphenyl)benzene);4-(3-propan-2-ylphenyl)morpholine;5-(3-propan-2-ylphenyl)-2H-pyrrole;2-(3-propan-2-ylphenyl)thiophene (CID 159606197) is 2-tert-butyl-1-benzofuran;tert-butylcyclopropane;2-tert-butyl-1,3-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;3-tert-butyl-2,5-dimethylfuran;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;(2,2-dimethyl-1-phenylpropyl)benzene;N,N-dimethyl-4-(3-propan-2-ylphenyl)aniline;1,3-dimethyl-2-(3-propan-2-ylphenyl)benzene;3-methyl-N-propan-2-ylaniline;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-(3-propan-2-ylphenyl)benzene);4-(3-propan-2-ylphenyl)morpholine;5-(3-propan-2-ylphenyl)-2H-pyrrole;2-(3-propan-2-ylphenyl)thiophene.
What is the SMILES notation for 2-tert-butyl-1-benzofuran;tert-butylcyclopropane;2-tert-butyl-1,3-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;3-tert-butyl-2,5-dimethylfuran;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;(2,2-dimethyl-1-phenylpropyl)benzene;N,N-dimethyl-4-(3-propan-2-ylphenyl)aniline;1,3-dimethyl-2-(3-propan-2-ylphenyl)benzene;3-methyl-N-propan-2-ylaniline;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-(3-propan-2-ylphenyl)benzene);4-(3-propan-2-ylphenyl)morpholine;5-(3-propan-2-ylphenyl)-2H-pyrrole;2-(3-propan-2-ylphenyl)thiophene?
The canonical SMILES for 2-tert-butyl-1-benzofuran;tert-butylcyclopropane;2-tert-butyl-1,3-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;3-tert-butyl-2,5-dimethylfuran;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;(2,2-dimethyl-1-phenylpropyl)benzene;N,N-dimethyl-4-(3-propan-2-ylphenyl)aniline;1,3-dimethyl-2-(3-propan-2-ylphenyl)benzene;3-methyl-N-propan-2-ylaniline;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-(3-propan-2-ylphenyl)benzene);4-(3-propan-2-ylphenyl)morpholine;5-(3-propan-2-ylphenyl)-2H-pyrrole;2-(3-propan-2-ylphenyl)thiophene is CC(C)(C)C(c1ccccc1)c1ccccc1.CC(C)(C)C1CC1.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)c1cccc(-c2ccc(N(C)C)cc2)c1.CC(C)c1cccc(-c2cccs2)c1.CC(C)c1cccc(C2=NCC=C2)c1.CC(C)c1cccc(N2CCOCC2)c1.COc1ccc(C(C)(C)C)cc1OC.COc1cccc(OC)c1C(C)(C)C.Cc1cc(C(C)(C)C)c(C)o1.Cc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C)c1-c1cccc(C(C)C)c1.Cc1cccc(NC(C)C)c1.
What is the InChIKey of 2-tert-butyl-1-benzofuran;tert-butylcyclopropane;2-tert-butyl-1,3-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;3-tert-butyl-2,5-dimethylfuran;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;(2,2-dimethyl-1-phenylpropyl)benzene;N,N-dimethyl-4-(3-propan-2-ylphenyl)aniline;1,3-dimethyl-2-(3-propan-2-ylphenyl)benzene;3-methyl-N-propan-2-ylaniline;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-(3-propan-2-ylphenyl)benzene);4-(3-propan-2-ylphenyl)morpholine;5-(3-propan-2-ylphenyl)-2H-pyrrole;2-(3-propan-2-ylphenyl)thiophene?
The InChIKey is MMCMOUBDECPEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N.2C17H20.2C16H18.C13H19NO.C13H15N.C13H14S.2C12H15N.2C12H18O2.C12H14O.C10H15N.C10H16O.2C10H14.C7H14/c1-13(2)15-6-5-7-16(12-15)14-8-10-17(11-9-14)18(3)4;1-12(2)15-9-6-10-16(11-15)17-13(3)7-5-8-14(17)4;1-17(2,3)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15;2*1-12(2)15-5-4-6-16(11-15)14-9-7-13(3)8-10-14;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;2*1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)9-6-7-10(13-4)11(8-9)14-5;1-12(2,3)11-9(13-4)7-6-8-10(11)14-5;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-8(2)11-10-6-4-5-9(3)7-10;1-7-6-9(8(2)11-7)10(3,4)5;2*1-8(2)10-6-4-5-9(3)7-10;1-7(2,3)6-4-5-6/h5-13H,1-4H3;5-12H,1-4H3;4-13,16H,1-3H3;2*4-12H,1-3H3;3-5,10-11H,6-9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-10H,1-2H3;2*4-8,13H,1-3H3;2*6-8H,1-5H3;4-8H,1-3H3;4-8,11H,1-3H3;6H,1-5H3;2*4-8H,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-1-benzofuran;tert-butylcyclopropane;2-tert-butyl-1,3-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;3-tert-butyl-2,5-dimethylfuran;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;(2,2-dimethyl-1-phenylpropyl)benzene;N,N-dimethyl-4-(3-propan-2-ylphenyl)aniline;1,3-dimethyl-2-(3-propan-2-ylphenyl)benzene;3-methyl-N-propan-2-ylaniline;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-(3-propan-2-ylphenyl)benzene);4-(3-propan-2-ylphenyl)morpholine;5-(3-propan-2-ylphenyl)-2H-pyrrole;2-(3-propan-2-ylphenyl)thiophene?
2-tert-butyl-1-benzofuran;tert-butylcyclopropane;2-tert-butyl-1,3-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;3-tert-butyl-2,5-dimethylfuran;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;(2,2-dimethyl-1-phenylpropyl)benzene;N,N-dimethyl-4-(3-propan-2-ylphenyl)aniline;1,3-dimethyl-2-(3-propan-2-ylphenyl)benzene;3-methyl-N-propan-2-ylaniline;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-(3-propan-2-ylphenyl)benzene);4-(3-propan-2-ylphenyl)morpholine;5-(3-propan-2-ylphenyl)-2H-pyrrole;2-(3-propan-2-ylphenyl)thiophene has a molecular weight of 3279.00 g/mol, XLogP of 65.78, 25 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-benzofuran;tert-butylcyclopropane;2-tert-butyl-1,3-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;3-tert-butyl-2,5-dimethylfuran;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;(2,2-dimethyl-1-phenylpropyl)benzene;N,N-dimethyl-4-(3-propan-2-ylphenyl)aniline;1,3-dimethyl-2-(3-propan-2-ylphenyl)benzene;3-methyl-N-propan-2-ylaniline;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-(3-propan-2-ylphenyl)benzene);4-(3-propan-2-ylphenyl)morpholine;5-(3-propan-2-ylphenyl)-2H-pyrrole;2-(3-propan-2-ylphenyl)thiophene is sourced from PubChem (CID 159606197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).