About 1-chloro-2-methyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;5-ethynyl-2-propan-2-ylpyridine;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;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;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;4-propan-2-yl-1,3-thiazole
1-chloro-2-methyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;5-ethynyl-2-propan-2-ylpyridine;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;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;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;4-propan-2-yl-1,3-thiazole (PubChem CID 162268272) has the molecular formula C177H246ClF7N18O6S2
and a molecular weight of 2954.61 g/mol. Its IUPAC name is 1-chloro-2-methyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;5-ethynyl-2-propan-2-ylpyridine;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;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;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;4-propan-2-yl-1,3-thiazole.
Frequently Asked Questions
What is the IUPAC name of 1-chloro-2-methyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;5-ethynyl-2-propan-2-ylpyridine;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;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;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;4-propan-2-yl-1,3-thiazole?
The IUPAC name of 1-chloro-2-methyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;5-ethynyl-2-propan-2-ylpyridine;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;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;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;4-propan-2-yl-1,3-thiazole (CID 162268272) is 1-chloro-2-methyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;5-ethynyl-2-propan-2-ylpyridine;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;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;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 1-chloro-2-methyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;5-ethynyl-2-propan-2-ylpyridine;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;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;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 1-chloro-2-methyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;5-ethynyl-2-propan-2-ylpyridine;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;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;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;4-propan-2-yl-1,3-thiazole is C#Cc1ccc(C(C)C)nc1.CC(C)c1[nH]cc2c1CCC2.CC(C)c1cc[nH]c1-c1ccccc1.CC(C)c1cccc2c1OCC2.CC(C)c1cccnc1.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1cscn1.CC(C)c1nc2ccccc2n1C.CCc1cc(C(C)C)n(C)n1.CCc1ocnc1C(C)C.COc1cccc(C(C)C)c1O.Cc1c(Cl)cccc1C(C)C.Cc1c[nH]c(=O)c(C(C)C)c1.Cc1cc(C(C)C)c(C(F)(F)F)o1.Cc1cc(F)c(C)c(C(C)C)c1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)nn1.Cc1cnc(C(C)C)cn1.Cc1ncsc1C(C)C.
What is the InChIKey of 1-chloro-2-methyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;5-ethynyl-2-propan-2-ylpyridine;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;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;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;4-propan-2-yl-1,3-thiazole?
The InChIKey is XMCHKMVCHZOBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C11H15F.C11H14N2.C11H14O.C11H16.C10H13Cl.C10H15N.C10H11N.C10H14O2.C9H11F3O.C9H16N2.C9H13NO.C8H11F3N2.2C8H12N2.C8H13NO.C8H11N.C7H11NS.C6H9NS/c1-10(2)12-8-9-14-13(12)11-6-4-3-5-7-11;1-7(2)10-5-8(3)6-11(12)9(10)4;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)9-5-4-6-10(11)8(9)3;1-7(2)10-9-5-3-4-8(9)6-11-10;1-4-9-5-6-10(8(2)3)11-7-9;1-7(2)8-5-4-6-9(12-3)10(8)11;1-5(2)7-4-6(3)13-8(7)9(10,11)12;1-5-8-6-9(7(2)3)11(4)10-8;1-6(2)8-4-7(3)5-10-9(8)11;1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-5-4-7(3)9-10-8;1-4-7-8(6(2)3)9-5-10-7;1-7(2)8-4-3-5-9-6-8;1-5(2)7-6(3)8-4-9-7;1-5(2)6-3-8-4-7-6/h3-10,14H,1-2H3;5-7H,1-4H3;4-8H,1-3H3;3-5,8H,6-7H2,1-2H3;5-8H,1-4H3;4-7H,1-3H3;6-7,11H,3-5H2,1-2H3;1,5-8H,2-3H3;4-7,11H,1-3H3;4-5H,1-3H3;6-7H,5H2,1-4H3;4-6H,1-3H3,(H,10,11);4-5H,1-3H3;2*4-6H,1-3H3;5-6H,4H2,1-3H3;3-7H,1-2H3;4-5H,1-3H3;3-5H,1-2H3.
What are the key properties of 1-chloro-2-methyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;5-ethynyl-2-propan-2-ylpyridine;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;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;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;4-propan-2-yl-1,3-thiazole?
1-chloro-2-methyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;5-ethynyl-2-propan-2-ylpyridine;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;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;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;4-propan-2-yl-1,3-thiazole has a molecular weight of 2954.61 g/mol, XLogP of 50.78, 23 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;5-ethynyl-2-propan-2-ylpyridine;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;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;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 162268272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).