1-chloro-2-methyl-4-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline

C266H364Cl2FN21O3S — CID 159783225

IUPAC1-chloro-2-methyl-4-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline
SMILESC.CC(=O)c1cccc(C(C)C)c1.CC(C)c1cc(-c2ccccc2)ccn1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc(C#N)nc1.CC(C)c1ccc2cccnc2c1.CC(C)c1cccc2ccn(C)c12.CC(C)c1ccccc1-c1cccnc1.CC(C)c1cccn1C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1sccc1Cl.COc1ccc(C(C)C)c(C)c1.COc1cccc(C(C)C)c1C.Cc1cc(C(C)C)cc(C)c1F.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C)cc(C(C)C)c1.Cc1cc(C)n2nc(C(C)C)nc2n1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C)c(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C
InChIInChI=1S/2C14H15N.C12H15N.C12H13N.C11H15F.C11H13N.2C11H16O.C11H14O.4C11H16.C10H13Cl.C10H14N4.2C10H14.C9H16N2.C9H10N2.3C9H13N.C8H13N.C7H9ClS.C7H12N2.C7H10N2.CH4/c1-11(2)13-7-3-4-8-14(13)12-6-5-9-15-10-12;1-11(2)14-10-13(8-9-15-14)12-6-4-3-5-7-12;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-7(2)10-5-8(3)11(12)9(4)6-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)11-6-5-10(12-4)7-9(11)3;1-8(2)10-6-5-7-11(12-4)9(10)3;1-8(2)10-5-4-6-11(7-10)9(3)12;1-8(2)11-6-9(3)5-10(4)7-11;1-8(2)11-6-5-9(3)10(4)7-11;1-8(2)11-6-5-9(3)7-10(11)4;1-8(2)11-7-9(3)5-6-10(11)4;1-7(2)9-4-5-10(11)8(3)6-9;1-6(2)9-12-10-11-7(3)5-8(4)14(10)13-9;2*1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-5-10-11-9(8)7(3)4;1-7(2)8-3-4-9(5-10)11-6-8;2*1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-6-4-5-8(3)10-9;1-7(2)8-5-4-6-9(8)3;1-5(2)7-6(8)3-4-9-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-8-4-3-5-9-7;/h2*3-11H,1-2H3;4-9H,1-3H3;3-9H,1-2H3;5-7H,1-4H3;3-8,12H,1-2H3;2*5-8H,1-4H3;4-8H,1-3H3;4*5-8H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;2*4-8H,1-3H3;5-7H,1-4H3,(H,10,11);3-4,6-7H,1-2H3;3*4-7H,1-3H3;4-7H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;1H4
InChIKeyNHPXKRAJDALXSS-UHFFFAOYSA-N
MW4025.95 g/mol
LogP77.83
Rot. Bonds32

About 1-chloro-2-methyl-4-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline

1-chloro-2-methyl-4-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline (PubChem CID 159783225) has the molecular formula C266H364Cl2FN21O3S and a molecular weight of 4025.95 g/mol. Its IUPAC name is 1-chloro-2-methyl-4-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline.

Molecular Properties

Compound Name1-chloro-2-methyl-4-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline
PubChem CID159783225
Molecular FormulaC266H364Cl2FN21O3S
Molecular Weight4025.95 g/mol
Exact Mass4021.81
IUPAC Name1-chloro-2-methyl-4-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline
SMILESC.CC(=O)c1cccc(C(C)C)c1.CC(C)c1cc(-c2ccccc2)ccn1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc(C#N)nc1.CC(C)c1ccc2cccnc2c1.CC(C)c1cccc2ccn(C)c12.CC(C)c1ccccc1-c1cccnc1.CC(C)c1cccn1C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1sccc1Cl.COc1ccc(C(C)C)c(C)c1.COc1cccc(C(C)C)c1C.Cc1cc(C(C)C)cc(C)c1F.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C)cc(C(C)C)c1.Cc1cc(C)n2nc(C(C)C)nc2n1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C)c(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C
InChIInChI=1S/2C14H15N.C12H15N.C12H13N.C11H15F.C11H13N.2C11H16O.C11H14O.4C11H16.C10H13Cl.C10H14N4.2C10H14.C9H16N2.C9H10N2.3C9H13N.C8H13N.C7H9ClS.C7H12N2.C7H10N2.CH4/c1-11(2)13-7-3-4-8-14(13)12-6-5-9-15-10-12;1-11(2)14-10-13(8-9-15-14)12-6-4-3-5-7-12;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-7(2)10-5-8(3)11(12)9(4)6-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)11-6-5-10(12-4)7-9(11)3;1-8(2)10-6-5-7-11(12-4)9(10)3;1-8(2)10-5-4-6-11(7-10)9(3)12;1-8(2)11-6-9(3)5-10(4)7-11;1-8(2)11-6-5-9(3)10(4)7-11;1-8(2)11-6-5-9(3)7-10(11)4;1-8(2)11-7-9(3)5-6-10(11)4;1-7(2)9-4-5-10(11)8(3)6-9;1-6(2)9-12-10-11-7(3)5-8(4)14(10)13-9;2*1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-5-10-11-9(8)7(3)4;1-7(2)8-3-4-9(5-10)11-6-8;2*1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-6-4-5-8(3)10-9;1-7(2)8-5-4-6-9(8)3;1-5(2)7-6(8)3-4-9-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-8-4-3-5-9-7;/h2*3-11H,1-2H3;4-9H,1-3H3;3-9H,1-2H3;5-7H,1-4H3;3-8,12H,1-2H3;2*5-8H,1-4H3;4-8H,1-3H3;4*5-8H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;2*4-8H,1-3H3;5-7H,1-4H3,(H,10,11);3-4,6-7H,1-2H3;3*4-7H,1-3H3;4-7H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;1H4
InChIKeyNHPXKRAJDALXSS-UHFFFAOYSA-N
XLogP77.83
TPSA290.56 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds32
Heavy Atoms294
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004025.95
LogP ≤ 577.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze 1-chloro-2-methyl-4-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-1-methoxy-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;2,5-dichloro-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylphenol;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-3-(trifluoromethyl)pyridine
CID 159579774
bis(1,3-dichloro-5-propan-2-ylbenzene);bis(N,N-dimethyl-3-propan-2-ylbenzamide);3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;bis(3-propan-2-yldibenzofuran);5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(1-(3-propan-2-ylphenyl)pyrrolidin-2-one);3-propan-2-ylpyridine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane
CID 159755399
2-chloro-1-methoxy-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;1-methoxy-4-methyl-2-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylphenol;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline;4-propan-2-yl-3-(trifluoromethyl)pyridine
CID 160281062
2-chloro-1,4-dimethylbenzene;5-chloro-1-methylindole;N,4-dimethylaniline;1,4-dimethylpiperidine;1,4-dimethyl-2-(trifluoromethyl)benzene;ethane;bis(2-fluoro-1,4-dimethylbenzene);methane;2-methoxy-1,4-dimethylbenzene;1-[3-(methylamino)phenyl]ethanone;6-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;1-methylindole;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;2-methylthiophene;1-methyl-3-(trifluoromethyl)pyrazole;toluene;1,2,4-trimethylbenzene;bis(1,4-xylene)
CID 160477510
CID 161254180
CID 161254180
3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;3-propan-2-yldibenzofuran;5-propan-2-yl-2,3-dihydrofuro[2,3-b]pyridine;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane
CID 161912599
3-chloro-2-propan-2-ylthiophene;2,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-2-propan-2-ylimidazole;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine
CID 162269176
3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile
CID 157479207
CID 158355047
CID 158355047
2-methyl-1-benzofuran;3-methyl-1-benzofuran;3-methyl-1-benzothiophene;3-methyl-2H-chromene;3-methylcinnoline;3-methyl-2H-indazole;2-methyl-1H-indene;3-methyl-1H-indene;1-methylindole;2-methyl-1H-indole;2-methylindolizine;2-methylisoindole;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,8-naphthyridine;1-methylphthalazine;2-methylpteridine;2-methylquinazoline;2-methylquinoline;3-methylquinolizin-5-ium;2-methylquinoxaline
CID 158658990
CID 158717914
CID 158717914
cumene;N,N-dimethyl-4-propan-2-ylaniline;1-fluoro-4-methoxy-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-5-propan-2-ylindole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylfuran;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158720255

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-4-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline?
The IUPAC name of 1-chloro-2-methyl-4-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline (CID 159783225) is 1-chloro-2-methyl-4-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline.
What is the SMILES notation for 1-chloro-2-methyl-4-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline?
The canonical SMILES for 1-chloro-2-methyl-4-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline is C.CC(=O)c1cccc(C(C)C)c1.CC(C)c1cc(-c2ccccc2)ccn1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc(C#N)nc1.CC(C)c1ccc2cccnc2c1.CC(C)c1cccc2ccn(C)c12.CC(C)c1ccccc1-c1cccnc1.CC(C)c1cccn1C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1sccc1Cl.COc1ccc(C(C)C)c(C)c1.COc1cccc(C(C)C)c1C.Cc1cc(C(C)C)cc(C)c1F.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C)cc(C(C)C)c1.Cc1cc(C)n2nc(C(C)C)nc2n1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C)c(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.
What is the InChIKey of 1-chloro-2-methyl-4-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline?
The InChIKey is NHPXKRAJDALXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H15N.C12H15N.C12H13N.C11H15F.C11H13N.2C11H16O.C11H14O.4C11H16.C10H13Cl.C10H14N4.2C10H14.C9H16N2.C9H10N2.3C9H13N.C8H13N.C7H9ClS.C7H12N2.C7H10N2.CH4/c1-11(2)13-7-3-4-8-14(13)12-6-5-9-15-10-12;1-11(2)14-10-13(8-9-15-14)12-6-4-3-5-7-12;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-7(2)10-5-8(3)11(12)9(4)6-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)11-6-5-10(12-4)7-9(11)3;1-8(2)10-6-5-7-11(12-4)9(10)3;1-8(2)10-5-4-6-11(7-10)9(3)12;1-8(2)11-6-9(3)5-10(4)7-11;1-8(2)11-6-5-9(3)10(4)7-11;1-8(2)11-6-5-9(3)7-10(11)4;1-8(2)11-7-9(3)5-6-10(11)4;1-7(2)9-4-5-10(11)8(3)6-9;1-6(2)9-12-10-11-7(3)5-8(4)14(10)13-9;2*1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-5-10-11-9(8)7(3)4;1-7(2)8-3-4-9(5-10)11-6-8;2*1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-6-4-5-8(3)10-9;1-7(2)8-5-4-6-9(8)3;1-5(2)7-6(8)3-4-9-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-8-4-3-5-9-7;/h2*3-11H,1-2H3;4-9H,1-3H3;3-9H,1-2H3;5-7H,1-4H3;3-8,12H,1-2H3;2*5-8H,1-4H3;4-8H,1-3H3;4*5-8H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;2*4-8H,1-3H3;5-7H,1-4H3,(H,10,11);3-4,6-7H,1-2H3;3*4-7H,1-3H3;4-7H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;1H4.
What are the key properties of 1-chloro-2-methyl-4-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline?
1-chloro-2-methyl-4-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline has a molecular weight of 4025.95 g/mol, XLogP of 77.83, 32 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-4-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline is sourced from PubChem (CID 159783225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).