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

C231H306Cl4F9N21O4S — CID 159579774

IUPAC2-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
SMILESCC(=O)c1cccc(C(C)C)c1.CC(C)c1cc(Cl)ncc1Cl.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc(C#N)nc1.CC(C)c1cccc2ccn(C)c12.CC(C)c1ccccc1-c1cccnc1.CC(C)c1ccccc1F.CC(C)c1cccn1C.CC(C)c1cccnc1F.CC(C)c1ccncc1C(F)(F)F.CC(C)c1ccncc1F.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1sccc1Cl.COc1ccc(C(C)C)c(C)c1.COc1cccc(C(C)C)c1Cl.Cc1cc(C(C)C)cc(C)c1F.Cc1cc(C(C)C)ccc1F.Cc1cc(C)cc(C(C)C)c1.Cc1cc(C)n2nc(C(C)C)nc2n1.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1O.Cc1cccc(C(C)C)n1.Cc1nc(C(C)C)ncc1C(C)C
InChIInChI=1S/C14H15N.C12H15N.C11H15F.C11H18N2.C11H13N.C11H16O.C11H14O.C11H16.C10H13ClO.2C10H13F.C10H14N4.C10H14O.C9H10F3N.C9H11F.C9H10N2.C9H13N.C8H9Cl2N.2C8H10FN.C8H13N.C7H9ClS.C7H12N2.C7H10N2/c1-11(2)13-7-3-4-8-14(13)12-6-5-9-15-10-12;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-7(2)10-5-8(3)11(12)9(4)6-10;1-7(2)10-6-12-11(8(3)4)13-9(10)5;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)10-5-4-6-11(7-10)9(3)12;1-8(2)11-6-9(3)5-10(4)7-11;1-7(2)8-5-4-6-9(12-3)10(8)11;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-4-8(3)6-10(9)11;1-6(2)9-12-10-11-7(3)5-8(4)14(10)13-9;1-7(2)9-5-4-8(3)10(11)6-9;1-6(2)7-3-4-13-5-8(7)9(10,11)12;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-4-9(5-10)11-6-8;1-7(2)9-6-4-5-8(3)10-9;1-5(2)6-3-8(10)11-4-7(6)9;1-6(2)7-3-4-10-5-8(7)9;1-6(2)7-4-3-5-10-8(7)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/h3-11H,1-2H3;4-9H,1-3H3;5-7H,1-4H3;6-8H,1-5H3;3-8,12H,1-2H3;5-8H,1-4H3;4-8H,1-3H3;5-8H,1-4H3;4-7H,1-3H3;2*4-7H,1-3H3;5-6H,1-4H3;4-7,11H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3-4,6-7H,1-2H3;4-7H,1-3H3;3-5H,1-2H3;2*3-6H,1-2H3;4-7H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,1-2H3
InChIKeyMIWDBBNADHJMIE-UHFFFAOYSA-N
MW3785.99 g/mol
LogP69.08
Rot. Bonds29

About 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

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 (PubChem CID 159579774) has the molecular formula C231H306Cl4F9N21O4S and a molecular weight of 3785.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID159579774
Molecular FormulaC231H306Cl4F9N21O4S
Molecular Weight3785.99 g/mol
Exact Mass3781.27
IUPAC Name2-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
SMILESCC(=O)c1cccc(C(C)C)c1.CC(C)c1cc(Cl)ncc1Cl.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc(C#N)nc1.CC(C)c1cccc2ccn(C)c12.CC(C)c1ccccc1-c1cccnc1.CC(C)c1ccccc1F.CC(C)c1cccn1C.CC(C)c1cccnc1F.CC(C)c1ccncc1C(F)(F)F.CC(C)c1ccncc1F.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1sccc1Cl.COc1ccc(C(C)C)c(C)c1.COc1cccc(C(C)C)c1Cl.Cc1cc(C(C)C)cc(C)c1F.Cc1cc(C(C)C)ccc1F.Cc1cc(C)cc(C(C)C)c1.Cc1cc(C)n2nc(C(C)C)nc2n1.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1O.Cc1cccc(C(C)C)n1.Cc1nc(C(C)C)ncc1C(C)C
InChIInChI=1S/C14H15N.C12H15N.C11H15F.C11H18N2.C11H13N.C11H16O.C11H14O.C11H16.C10H13ClO.2C10H13F.C10H14N4.C10H14O.C9H10F3N.C9H11F.C9H10N2.C9H13N.C8H9Cl2N.2C8H10FN.C8H13N.C7H9ClS.C7H12N2.C7H10N2/c1-11(2)13-7-3-4-8-14(13)12-6-5-9-15-10-12;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-7(2)10-5-8(3)11(12)9(4)6-10;1-7(2)10-6-12-11(8(3)4)13-9(10)5;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)10-5-4-6-11(7-10)9(3)12;1-8(2)11-6-9(3)5-10(4)7-11;1-7(2)8-5-4-6-9(12-3)10(8)11;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-4-8(3)6-10(9)11;1-6(2)9-12-10-11-7(3)5-8(4)14(10)13-9;1-7(2)9-5-4-8(3)10(11)6-9;1-6(2)7-3-4-13-5-8(7)9(10,11)12;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-4-9(5-10)11-6-8;1-7(2)9-6-4-5-8(3)10-9;1-5(2)6-3-8(10)11-4-7(6)9;1-6(2)7-3-4-10-5-8(7)9;1-6(2)7-4-3-5-10-8(7)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/h3-11H,1-2H3;4-9H,1-3H3;5-7H,1-4H3;6-8H,1-5H3;3-8,12H,1-2H3;5-8H,1-4H3;4-8H,1-3H3;5-8H,1-4H3;4-7H,1-3H3;2*4-7H,1-3H3;5-6H,1-4H3;4-7,11H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3-4,6-7H,1-2H3;4-7H,1-3H3;3-5H,1-2H3;2*3-6H,1-2H3;4-7H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,1-2H3
InChIKeyMIWDBBNADHJMIE-UHFFFAOYSA-N
XLogP69.08
TPSA307.89 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms270
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003785.99
LogP ≤ 569.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5-ethynyl-2-propan-2-ylpyridine;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-fluoro-3-methyl-6-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-5-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine
CID 162268271
CID 162268766
CID 162268766
CID 162280858
CID 162280858
CID 162282063
CID 162282063
2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;6-propan-2-ylpyridine-3-carbonitrile;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine
CID 162282064
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 158717914
CID 158717914
3-[[5-chloro-1-methyl-3-(phenylsulfanylmethyl)pyrazol-4-yl]methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-thiophen-2-ylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 159510068
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;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-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 159602773

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1cccc(C(C)C)c1.CC(C)c1cc(Cl)ncc1Cl.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc(C#N)nc1.CC(C)c1cccc2ccn(C)c12.CC(C)c1ccccc1-c1cccnc1.CC(C)c1ccccc1F.CC(C)c1cccn1C.CC(C)c1cccnc1F.CC(C)c1ccncc1C(F)(F)F.CC(C)c1ccncc1F.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1sccc1Cl.COc1ccc(C(C)C)c(C)c1.COc1cccc(C(C)C)c1Cl.Cc1cc(C(C)C)cc(C)c1F.Cc1cc(C(C)C)ccc1F.Cc1cc(C)cc(C(C)C)c1.Cc1cc(C)n2nc(C(C)C)nc2n1.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1O.Cc1cccc(C(C)C)n1.Cc1nc(C(C)C)ncc1C(C)C.
What is the InChIKey of 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?
The InChIKey is MIWDBBNADHJMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C12H15N.C11H15F.C11H18N2.C11H13N.C11H16O.C11H14O.C11H16.C10H13ClO.2C10H13F.C10H14N4.C10H14O.C9H10F3N.C9H11F.C9H10N2.C9H13N.C8H9Cl2N.2C8H10FN.C8H13N.C7H9ClS.C7H12N2.C7H10N2/c1-11(2)13-7-3-4-8-14(13)12-6-5-9-15-10-12;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-7(2)10-5-8(3)11(12)9(4)6-10;1-7(2)10-6-12-11(8(3)4)13-9(10)5;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)10-5-4-6-11(7-10)9(3)12;1-8(2)11-6-9(3)5-10(4)7-11;1-7(2)8-5-4-6-9(12-3)10(8)11;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-4-8(3)6-10(9)11;1-6(2)9-12-10-11-7(3)5-8(4)14(10)13-9;1-7(2)9-5-4-8(3)10(11)6-9;1-6(2)7-3-4-13-5-8(7)9(10,11)12;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-4-9(5-10)11-6-8;1-7(2)9-6-4-5-8(3)10-9;1-5(2)6-3-8(10)11-4-7(6)9;1-6(2)7-3-4-10-5-8(7)9;1-6(2)7-4-3-5-10-8(7)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/h3-11H,1-2H3;4-9H,1-3H3;5-7H,1-4H3;6-8H,1-5H3;3-8,12H,1-2H3;5-8H,1-4H3;4-8H,1-3H3;5-8H,1-4H3;4-7H,1-3H3;2*4-7H,1-3H3;5-6H,1-4H3;4-7,11H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3-4,6-7H,1-2H3;4-7H,1-3H3;3-5H,1-2H3;2*3-6H,1-2H3;4-7H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3785.99 g/mol, XLogP of 69.08, 29 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159579774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).