cumene;1-cyclopropyloxy-2-methoxy-4-propan-2-ylbenzene;2-methoxy-6-propan-2-yl-1,3-benzothiazole;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-methoxy-4-propan-2-ylpyrimidine;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;6-propan-2-yl-4H-1,4-benzoxazin-3-one;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine

C176H239F9N20O13S4 — CID 167580147

IUPACcumene;1-cyclopropyloxy-2-methoxy-4-propan-2-ylbenzene;2-methoxy-6-propan-2-yl-1,3-benzothiazole;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-methoxy-4-propan-2-ylpyrimidine;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;6-propan-2-yl-4H-1,4-benzoxazin-3-one;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1ccc2c(c1)NC(=O)CO2.CC(C)c1ccccc1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(C(F)(F)F)n1.CC(C)c1ccnc(OC(F)(F)F)c1.CC(C)c1cnc(CO)nc1.COc1cc(C(C)C)ccc1OC1CC1.COc1cc(C(C)C)ccc1OCCO.COc1nc2ccc(C(C)C)cc2s1.COc1ncc(C(C)C)s1.COc1nccc(C(C)C)n1.Cc1cc(C(C)C)c[nH]1.Cc1cc(C(C)C)co1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1nc2ccc(C(C)C)cc2[nH]1.Cc1nc2ccc(C(C)C)cc2s1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)s1
InChIInChI=1S/C13H18O2.C12H18O3.C11H14N2.C11H13NO2.C11H13NOS.C11H13NS.C9H10F3NO.C9H10F3N.2C9H13N.C9H12.C8H9F3N2.2C8H12N2O.C8H12N2.C8H13N.C8H12O.C7H11NOS.C7H11NS/c1-9(2)10-4-7-12(13(8-10)14-3)15-11-5-6-11;1-9(2)10-4-5-11(15-7-6-13)12(8-10)14-3;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)8-3-4-10-9(5-8)12-11(13)6-14-10;1-7(2)8-4-5-9-10(6-8)14-11(12-9)13-3;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-6(2)7-3-4-13-8(5-7)14-9(10,11)12;1-6(2)7-3-4-13-8(5-7)9(10,11)12;2*1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;1-5(2)6-3-4-12-7(13-6)8(9,10)11;1-6(2)7-3-9-8(5-11)10-4-7;1-6(2)7-4-5-9-8(10-7)11-3;1-6(2)8-4-9-7(3)10-5-8;2*1-6(2)8-4-7(3)9-5-8;1-5(2)6-4-8-7(9-3)10-6;1-5(2)7-4-8-6(3)9-7/h4,7-9,11H,5-6H2,1-3H3;4-5,8-9,13H,6-7H2,1-3H3;4-7H,1-3H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,12,13);4-7H,1-3H3;4-7H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;2*4-7H,1-3H3;3-8H,1-2H3;3-5H,1-2H3;3-4,6,11H,5H2,1-2H3;4-6H,1-3H3;4-6H,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;4-5H,1-3H3
InChIKeyHBQJYYJCZCOUKI-UHFFFAOYSA-N
MW3142.22 g/mol
LogP49.24
Rot. Bonds31

About cumene;1-cyclopropyloxy-2-methoxy-4-propan-2-ylbenzene;2-methoxy-6-propan-2-yl-1,3-benzothiazole;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-methoxy-4-propan-2-ylpyrimidine;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;6-propan-2-yl-4H-1,4-benzoxazin-3-one;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine

cumene;1-cyclopropyloxy-2-methoxy-4-propan-2-ylbenzene;2-methoxy-6-propan-2-yl-1,3-benzothiazole;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-methoxy-4-propan-2-ylpyrimidine;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;6-propan-2-yl-4H-1,4-benzoxazin-3-one;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 167580147) has the molecular formula C176H239F9N20O13S4 and a molecular weight of 3142.22 g/mol. Its IUPAC name is cumene;1-cyclopropyloxy-2-methoxy-4-propan-2-ylbenzene;2-methoxy-6-propan-2-yl-1,3-benzothiazole;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-methoxy-4-propan-2-ylpyrimidine;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;6-propan-2-yl-4H-1,4-benzoxazin-3-one;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Namecumene;1-cyclopropyloxy-2-methoxy-4-propan-2-ylbenzene;2-methoxy-6-propan-2-yl-1,3-benzothiazole;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-methoxy-4-propan-2-ylpyrimidine;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;6-propan-2-yl-4H-1,4-benzoxazin-3-one;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine
PubChem CID167580147
Molecular FormulaC176H239F9N20O13S4
Molecular Weight3142.22 g/mol
Exact Mass3139.74
IUPAC Namecumene;1-cyclopropyloxy-2-methoxy-4-propan-2-ylbenzene;2-methoxy-6-propan-2-yl-1,3-benzothiazole;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-methoxy-4-propan-2-ylpyrimidine;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;6-propan-2-yl-4H-1,4-benzoxazin-3-one;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1ccc2c(c1)NC(=O)CO2.CC(C)c1ccccc1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(C(F)(F)F)n1.CC(C)c1ccnc(OC(F)(F)F)c1.CC(C)c1cnc(CO)nc1.COc1cc(C(C)C)ccc1OC1CC1.COc1cc(C(C)C)ccc1OCCO.COc1nc2ccc(C(C)C)cc2s1.COc1ncc(C(C)C)s1.COc1nccc(C(C)C)n1.Cc1cc(C(C)C)c[nH]1.Cc1cc(C(C)C)co1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1nc2ccc(C(C)C)cc2[nH]1.Cc1nc2ccc(C(C)C)cc2s1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)s1
InChIInChI=1S/C13H18O2.C12H18O3.C11H14N2.C11H13NO2.C11H13NOS.C11H13NS.C9H10F3NO.C9H10F3N.2C9H13N.C9H12.C8H9F3N2.2C8H12N2O.C8H12N2.C8H13N.C8H12O.C7H11NOS.C7H11NS/c1-9(2)10-4-7-12(13(8-10)14-3)15-11-5-6-11;1-9(2)10-4-5-11(15-7-6-13)12(8-10)14-3;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)8-3-4-10-9(5-8)12-11(13)6-14-10;1-7(2)8-4-5-9-10(6-8)14-11(12-9)13-3;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-6(2)7-3-4-13-8(5-7)14-9(10,11)12;1-6(2)7-3-4-13-8(5-7)9(10,11)12;2*1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;1-5(2)6-3-4-12-7(13-6)8(9,10)11;1-6(2)7-3-9-8(5-11)10-4-7;1-6(2)7-4-5-9-8(10-7)11-3;1-6(2)8-4-9-7(3)10-5-8;2*1-6(2)8-4-7(3)9-5-8;1-5(2)6-4-8-7(9-3)10-6;1-5(2)7-4-8-6(3)9-7/h4,7-9,11H,5-6H2,1-3H3;4-5,8-9,13H,6-7H2,1-3H3;4-7H,1-3H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,12,13);4-7H,1-3H3;4-7H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;2*4-7H,1-3H3;3-8H,1-2H3;3-5H,1-2H3;3-4,6,11H,5H2,1-2H3;4-6H,1-3H3;4-6H,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;4-5H,1-3H3
InChIKeyHBQJYYJCZCOUKI-UHFFFAOYSA-N
XLogP49.24
TPSA416.48 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds31
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003142.22
LogP ≤ 549.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Analyze cumene;1-cyclopropyloxy-2-methoxy-4-propan-2-ylbenzene;2-methoxy-6-propan-2-yl-1,3-benzothiazole;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-methoxy-4-propan-2-ylpyrimidine;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;6-propan-2-yl-4H-1,4-benzoxazin-3-one;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

cumene;1-cyclopropyloxy-2-methoxy-4-propan-2-ylbenzene;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-methoxy-4-propan-2-ylpyrimidine;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;6-propan-2-yl-4H-1,4-benzoxazin-3-one;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 167575358
5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 157635492
2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1,6-dimethylindole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 157730023
5,8-difluoro-6-methylquinazoline;5,7-difluoro-6-methylquinoline;2,6-dimethylquinoline;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;7-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;7-fluoro-6-methyl-1H-indazole;8-fluoro-6-methylquinazoline;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;bis(6-methylquinazoline);6-methylquinoline
CID 157979378
6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine
CID 158161486
5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;7-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;7-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 158269268
5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 158708039
2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;methane;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 158950119
2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;2-methyl-5H-chromeno[2,3-b]pyridine;3-methyl-5H-chromeno[2,3-b]pyridine;7-methyl-5H-chromeno[2,3-b]pyridine;8-methyl-5H-chromeno[2,3-b]pyridine;2-methylfuran;3-methylfuran;2-methyl-1H-indole;3-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;2-methyl-10H-phenothiazine;3-methyl-10H-phenothiazine;2-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 159223156
1-propan-2-ylbenzimidazole;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylquinazoline;bis(4-propan-2-ylquinazoline);5-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;8-propan-2-ylquinazoline
CID 159430033
CID 159588798
CID 159588798
2-(2,2-dimethylpropyl)-1,3-benzothiazole;2-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyrazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;2-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene;methane;2-(2-methylpropyl)-1-benzofuran
CID 159598036

Frequently Asked Questions

What is the IUPAC name of cumene;1-cyclopropyloxy-2-methoxy-4-propan-2-ylbenzene;2-methoxy-6-propan-2-yl-1,3-benzothiazole;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-methoxy-4-propan-2-ylpyrimidine;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;6-propan-2-yl-4H-1,4-benzoxazin-3-one;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of cumene;1-cyclopropyloxy-2-methoxy-4-propan-2-ylbenzene;2-methoxy-6-propan-2-yl-1,3-benzothiazole;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-methoxy-4-propan-2-ylpyrimidine;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;6-propan-2-yl-4H-1,4-benzoxazin-3-one;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine (CID 167580147) is cumene;1-cyclopropyloxy-2-methoxy-4-propan-2-ylbenzene;2-methoxy-6-propan-2-yl-1,3-benzothiazole;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-methoxy-4-propan-2-ylpyrimidine;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;6-propan-2-yl-4H-1,4-benzoxazin-3-one;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for cumene;1-cyclopropyloxy-2-methoxy-4-propan-2-ylbenzene;2-methoxy-6-propan-2-yl-1,3-benzothiazole;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-methoxy-4-propan-2-ylpyrimidine;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;6-propan-2-yl-4H-1,4-benzoxazin-3-one;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for cumene;1-cyclopropyloxy-2-methoxy-4-propan-2-ylbenzene;2-methoxy-6-propan-2-yl-1,3-benzothiazole;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-methoxy-4-propan-2-ylpyrimidine;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;6-propan-2-yl-4H-1,4-benzoxazin-3-one;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine is CC(C)c1ccc2c(c1)NC(=O)CO2.CC(C)c1ccccc1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(C(F)(F)F)n1.CC(C)c1ccnc(OC(F)(F)F)c1.CC(C)c1cnc(CO)nc1.COc1cc(C(C)C)ccc1OC1CC1.COc1cc(C(C)C)ccc1OCCO.COc1nc2ccc(C(C)C)cc2s1.COc1ncc(C(C)C)s1.COc1nccc(C(C)C)n1.Cc1cc(C(C)C)c[nH]1.Cc1cc(C(C)C)co1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1nc2ccc(C(C)C)cc2[nH]1.Cc1nc2ccc(C(C)C)cc2s1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)s1.
What is the InChIKey of cumene;1-cyclopropyloxy-2-methoxy-4-propan-2-ylbenzene;2-methoxy-6-propan-2-yl-1,3-benzothiazole;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-methoxy-4-propan-2-ylpyrimidine;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;6-propan-2-yl-4H-1,4-benzoxazin-3-one;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is HBQJYYJCZCOUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2.C12H18O3.C11H14N2.C11H13NO2.C11H13NOS.C11H13NS.C9H10F3NO.C9H10F3N.2C9H13N.C9H12.C8H9F3N2.2C8H12N2O.C8H12N2.C8H13N.C8H12O.C7H11NOS.C7H11NS/c1-9(2)10-4-7-12(13(8-10)14-3)15-11-5-6-11;1-9(2)10-4-5-11(15-7-6-13)12(8-10)14-3;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)8-3-4-10-9(5-8)12-11(13)6-14-10;1-7(2)8-4-5-9-10(6-8)14-11(12-9)13-3;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-6(2)7-3-4-13-8(5-7)14-9(10,11)12;1-6(2)7-3-4-13-8(5-7)9(10,11)12;2*1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;1-5(2)6-3-4-12-7(13-6)8(9,10)11;1-6(2)7-3-9-8(5-11)10-4-7;1-6(2)7-4-5-9-8(10-7)11-3;1-6(2)8-4-9-7(3)10-5-8;2*1-6(2)8-4-7(3)9-5-8;1-5(2)6-4-8-7(9-3)10-6;1-5(2)7-4-8-6(3)9-7/h4,7-9,11H,5-6H2,1-3H3;4-5,8-9,13H,6-7H2,1-3H3;4-7H,1-3H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,12,13);4-7H,1-3H3;4-7H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;2*4-7H,1-3H3;3-8H,1-2H3;3-5H,1-2H3;3-4,6,11H,5H2,1-2H3;4-6H,1-3H3;4-6H,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;4-5H,1-3H3.
What are the key properties of cumene;1-cyclopropyloxy-2-methoxy-4-propan-2-ylbenzene;2-methoxy-6-propan-2-yl-1,3-benzothiazole;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-methoxy-4-propan-2-ylpyrimidine;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;6-propan-2-yl-4H-1,4-benzoxazin-3-one;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine?
cumene;1-cyclopropyloxy-2-methoxy-4-propan-2-ylbenzene;2-methoxy-6-propan-2-yl-1,3-benzothiazole;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-methoxy-4-propan-2-ylpyrimidine;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;6-propan-2-yl-4H-1,4-benzoxazin-3-one;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 3142.22 g/mol, XLogP of 49.24, 31 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;1-cyclopropyloxy-2-methoxy-4-propan-2-ylbenzene;2-methoxy-6-propan-2-yl-1,3-benzothiazole;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-methoxy-4-propan-2-ylpyrimidine;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;6-propan-2-yl-4H-1,4-benzoxazin-3-one;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 167580147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).