cumene;1,3-difluoro-2-propan-2-ylbenzene;1,2-dimethoxy-3-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;4-(2-fluoro-5-propan-2-ylphenyl)oxane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-phenyl-4-propan-2-ylimidazole;1-methyl-2-phenyl-5-propan-2-ylimidazole;1-methyl-4-phenyl-5-propan-2-ylimidazole;1-methyl-5-phenyl-4-propan-2-ylimidazole;2-methylpropanamide;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile;2-methylpropylbenzene;2-methylsulfonylpropane;1-phenyl-4-propan-2-ylimidazole;1-phenyl-5-propan-2-ylimidazole;propan-2-ylcyclopropane;1-propan-2-ylimidazole;bis(5-propan-2-yl-1H-imidazole);4-propan-2-ylmorpholine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2-prop-1-ynylpyridine;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole

C273H399F3N36O11S — CID 167634673

IUPACcumene;1,3-difluoro-2-propan-2-ylbenzene;1,2-dimethoxy-3-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;4-(2-fluoro-5-propan-2-ylphenyl)oxane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-phenyl-4-propan-2-ylimidazole;1-methyl-2-phenyl-5-propan-2-ylimidazole;1-methyl-4-phenyl-5-propan-2-ylimidazole;1-methyl-5-phenyl-4-propan-2-ylimidazole;2-methylpropanamide;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile;2-methylpropylbenzene;2-methylsulfonylpropane;1-phenyl-4-propan-2-ylimidazole;1-phenyl-5-propan-2-ylimidazole;propan-2-ylcyclopropane;1-propan-2-ylimidazole;bis(5-propan-2-yl-1H-imidazole);4-propan-2-ylmorpholine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2-prop-1-ynylpyridine;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole
SMILESCC#Cc1cc(C(C)C)ccn1.CC(C)C(N)=O.CC(C)C1CC1.CC(C)C1CCOCC1.CC(C)Cc1ccccc1.CC(C)N1CCOCC1.CC(C)S(C)(=O)=O.CC(C)c1c(-c2ccccc2)ncn1C.CC(C)c1c(F)cccc1F.CC(C)c1cc[nH]c1.CC(C)c1ccc(F)c(C2CCOCC2)c1.CC(C)c1ccccc1.CC(C)c1ccnc(C(C)(C)C#N)c1.CC(C)c1ccncc1.CC(C)c1cn(-c2ccccc2)cn1.CC(C)c1cn(C)c(-c2ccccc2)n1.CC(C)c1cn[nH]c1.CC(C)c1cnc(-c2ccccc2)n1C.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cncn1-c1ccccc1.CC(C)c1cncn1C.CC(C)c1cnco1.CC(C)c1cnn(C)c1.CC(C)c1ncco1.CC(C)c1ncn(C)c1-c1ccccc1.CC(C)n1ccnc1.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1OC.Cc1cc(C(C)C)ccn1.Cc1ncc(C(C)C)n1C
InChIInChI=1S/C14H19FO.4C13H16N2.2C12H14N2.C12H16N2.C11H13N.C11H16O2.C10H14O.C10H14.C9H10F2.C9H13N.C9H12.C8H14N2.C8H11N.C8H16O.2C7H12N2.C7H15NO.C7H11N.4C6H10N2.2C6H9NO.C6H12.C4H9NO.C4H10O2S/c1-10(2)12-3-4-14(15)13(9-12)11-5-7-16-8-6-11;1-10(2)13-12(14-9-15(13)3)11-7-5-4-6-8-11;1-10(2)12-13(15(3)9-14-12)11-7-5-4-6-8-11;1-10(2)12-9-15(3)13(14-12)11-7-5-4-6-8-11;1-10(2)12-9-14-13(15(12)3)11-7-5-4-6-8-11;1-10(2)12-8-14(9-13-12)11-6-4-3-5-7-11;1-10(2)12-8-13-9-14(12)11-6-4-3-5-7-11;1-9(2)10-5-6-14-11(7-10)12(3,4)8-13;1-4-5-11-8-10(9(2)3)6-7-12-11;1-8(2)9-6-5-7-10(12-3)11(9)13-4;1-8(2)9-4-6-10(11-3)7-5-9;1-9(2)8-10-6-4-3-5-7-10;1-6(2)9-7(10)4-3-5-8(9)11;1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-9-7(3)10(8)4;2*1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-8-9(3)5-7;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;2*1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-6(2)8-4-3-7-5-8;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-6;1-3(2)4(5)6;1-4(2)7(3,5)6/h3-4,9-11H,5-8H2,1-2H3;4*4-10H,1-3H3;2*3-10H,1-2H3;5-7,9H,1-4H3;6-9H,1-3H3;5-8H,1-4H3;4-8H,1-3H3;3-7,9H,8H2,1-2H3;3-6H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;5-6H,1-4H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;2*4-6H,1-3H3;7H,3-6H2,1-2H3;3-6,8H,1-2H3;3*3-5H,1-2H3,(H,7,8);3-6H,1-2H3;2*3-5H,1-2H3;5-6H,3-4H2,1-2H3;3H,1-2H3,(H2,5,6);4H,1-3H3
InChIKeyOHNCPWCOCUZNAV-UHFFFAOYSA-N
MW4450.50 g/mol
LogP69.56
Rot. Bonds43

About cumene;1,3-difluoro-2-propan-2-ylbenzene;1,2-dimethoxy-3-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;4-(2-fluoro-5-propan-2-ylphenyl)oxane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-phenyl-4-propan-2-ylimidazole;1-methyl-2-phenyl-5-propan-2-ylimidazole;1-methyl-4-phenyl-5-propan-2-ylimidazole;1-methyl-5-phenyl-4-propan-2-ylimidazole;2-methylpropanamide;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile;2-methylpropylbenzene;2-methylsulfonylpropane;1-phenyl-4-propan-2-ylimidazole;1-phenyl-5-propan-2-ylimidazole;propan-2-ylcyclopropane;1-propan-2-ylimidazole;bis(5-propan-2-yl-1H-imidazole);4-propan-2-ylmorpholine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2-prop-1-ynylpyridine;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole

cumene;1,3-difluoro-2-propan-2-ylbenzene;1,2-dimethoxy-3-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;4-(2-fluoro-5-propan-2-ylphenyl)oxane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-phenyl-4-propan-2-ylimidazole;1-methyl-2-phenyl-5-propan-2-ylimidazole;1-methyl-4-phenyl-5-propan-2-ylimidazole;1-methyl-5-phenyl-4-propan-2-ylimidazole;2-methylpropanamide;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile;2-methylpropylbenzene;2-methylsulfonylpropane;1-phenyl-4-propan-2-ylimidazole;1-phenyl-5-propan-2-ylimidazole;propan-2-ylcyclopropane;1-propan-2-ylimidazole;bis(5-propan-2-yl-1H-imidazole);4-propan-2-ylmorpholine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2-prop-1-ynylpyridine;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole (PubChem CID 167634673) has the molecular formula C273H399F3N36O11S and a molecular weight of 4450.50 g/mol. Its IUPAC name is cumene;1,3-difluoro-2-propan-2-ylbenzene;1,2-dimethoxy-3-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;4-(2-fluoro-5-propan-2-ylphenyl)oxane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-phenyl-4-propan-2-ylimidazole;1-methyl-2-phenyl-5-propan-2-ylimidazole;1-methyl-4-phenyl-5-propan-2-ylimidazole;1-methyl-5-phenyl-4-propan-2-ylimidazole;2-methylpropanamide;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile;2-methylpropylbenzene;2-methylsulfonylpropane;1-phenyl-4-propan-2-ylimidazole;1-phenyl-5-propan-2-ylimidazole;propan-2-ylcyclopropane;1-propan-2-ylimidazole;bis(5-propan-2-yl-1H-imidazole);4-propan-2-ylmorpholine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2-prop-1-ynylpyridine;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole.

Molecular Properties

Compound Namecumene;1,3-difluoro-2-propan-2-ylbenzene;1,2-dimethoxy-3-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;4-(2-fluoro-5-propan-2-ylphenyl)oxane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-phenyl-4-propan-2-ylimidazole;1-methyl-2-phenyl-5-propan-2-ylimidazole;1-methyl-4-phenyl-5-propan-2-ylimidazole;1-methyl-5-phenyl-4-propan-2-ylimidazole;2-methylpropanamide;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile;2-methylpropylbenzene;2-methylsulfonylpropane;1-phenyl-4-propan-2-ylimidazole;1-phenyl-5-propan-2-ylimidazole;propan-2-ylcyclopropane;1-propan-2-ylimidazole;bis(5-propan-2-yl-1H-imidazole);4-propan-2-ylmorpholine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2-prop-1-ynylpyridine;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole
PubChem CID167634673
Molecular FormulaC273H399F3N36O11S
Molecular Weight4450.50 g/mol
Exact Mass4447.14
IUPAC Namecumene;1,3-difluoro-2-propan-2-ylbenzene;1,2-dimethoxy-3-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;4-(2-fluoro-5-propan-2-ylphenyl)oxane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-phenyl-4-propan-2-ylimidazole;1-methyl-2-phenyl-5-propan-2-ylimidazole;1-methyl-4-phenyl-5-propan-2-ylimidazole;1-methyl-5-phenyl-4-propan-2-ylimidazole;2-methylpropanamide;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile;2-methylpropylbenzene;2-methylsulfonylpropane;1-phenyl-4-propan-2-ylimidazole;1-phenyl-5-propan-2-ylimidazole;propan-2-ylcyclopropane;1-propan-2-ylimidazole;bis(5-propan-2-yl-1H-imidazole);4-propan-2-ylmorpholine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2-prop-1-ynylpyridine;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole
SMILESCC#Cc1cc(C(C)C)ccn1.CC(C)C(N)=O.CC(C)C1CC1.CC(C)C1CCOCC1.CC(C)Cc1ccccc1.CC(C)N1CCOCC1.CC(C)S(C)(=O)=O.CC(C)c1c(-c2ccccc2)ncn1C.CC(C)c1c(F)cccc1F.CC(C)c1cc[nH]c1.CC(C)c1ccc(F)c(C2CCOCC2)c1.CC(C)c1ccccc1.CC(C)c1ccnc(C(C)(C)C#N)c1.CC(C)c1ccncc1.CC(C)c1cn(-c2ccccc2)cn1.CC(C)c1cn(C)c(-c2ccccc2)n1.CC(C)c1cn[nH]c1.CC(C)c1cnc(-c2ccccc2)n1C.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cncn1-c1ccccc1.CC(C)c1cncn1C.CC(C)c1cnco1.CC(C)c1cnn(C)c1.CC(C)c1ncco1.CC(C)c1ncn(C)c1-c1ccccc1.CC(C)n1ccnc1.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1OC.Cc1cc(C(C)C)ccn1.Cc1ncc(C(C)C)n1C
InChIInChI=1S/C14H19FO.4C13H16N2.2C12H14N2.C12H16N2.C11H13N.C11H16O2.C10H14O.C10H14.C9H10F2.C9H13N.C9H12.C8H14N2.C8H11N.C8H16O.2C7H12N2.C7H15NO.C7H11N.4C6H10N2.2C6H9NO.C6H12.C4H9NO.C4H10O2S/c1-10(2)12-3-4-14(15)13(9-12)11-5-7-16-8-6-11;1-10(2)13-12(14-9-15(13)3)11-7-5-4-6-8-11;1-10(2)12-13(15(3)9-14-12)11-7-5-4-6-8-11;1-10(2)12-9-15(3)13(14-12)11-7-5-4-6-8-11;1-10(2)12-9-14-13(15(12)3)11-7-5-4-6-8-11;1-10(2)12-8-14(9-13-12)11-6-4-3-5-7-11;1-10(2)12-8-13-9-14(12)11-6-4-3-5-7-11;1-9(2)10-5-6-14-11(7-10)12(3,4)8-13;1-4-5-11-8-10(9(2)3)6-7-12-11;1-8(2)9-6-5-7-10(12-3)11(9)13-4;1-8(2)9-4-6-10(11-3)7-5-9;1-9(2)8-10-6-4-3-5-7-10;1-6(2)9-7(10)4-3-5-8(9)11;1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-9-7(3)10(8)4;2*1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-8-9(3)5-7;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;2*1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-6(2)8-4-3-7-5-8;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-6;1-3(2)4(5)6;1-4(2)7(3,5)6/h3-4,9-11H,5-8H2,1-2H3;4*4-10H,1-3H3;2*3-10H,1-2H3;5-7,9H,1-4H3;6-9H,1-3H3;5-8H,1-4H3;4-8H,1-3H3;3-7,9H,8H2,1-2H3;3-6H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;5-6H,1-4H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;2*4-6H,1-3H3;7H,3-6H2,1-2H3;3-6,8H,1-2H3;3*3-5H,1-2H3,(H,7,8);3-6H,1-2H3;2*3-5H,1-2H3;5-6H,3-4H2,1-2H3;3H,1-2H3,(H2,5,6);4H,1-3H3
InChIKeyOHNCPWCOCUZNAV-UHFFFAOYSA-N
XLogP69.56
TPSA543.29 Ų
H-Bond Donors5
H-Bond Acceptors42
Rotatable Bonds43
Heavy Atoms324
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004450.50
LogP ≤ 569.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1042

Analyze cumene;1,3-difluoro-2-propan-2-ylbenzene;1,2-dimethoxy-3-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;4-(2-fluoro-5-propan-2-ylphenyl)oxane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-phenyl-4-propan-2-ylimidazole;1-methyl-2-phenyl-5-propan-2-ylimidazole;1-methyl-4-phenyl-5-propan-2-ylimidazole;1-methyl-5-phenyl-4-propan-2-ylimidazole;2-methylpropanamide;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile;2-methylpropylbenzene;2-methylsulfonylpropane;1-phenyl-4-propan-2-ylimidazole;1-phenyl-5-propan-2-ylimidazole;propan-2-ylcyclopropane;1-propan-2-ylimidazole;bis(5-propan-2-yl-1H-imidazole);4-propan-2-ylmorpholine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2-prop-1-ynylpyridine;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;1,3-difluoro-2-propan-2-ylbenzene;1,2-dimethoxy-3-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;4-(2-fluoro-5-propan-2-ylphenyl)oxane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-phenyl-4-propan-2-ylimidazole;1-methyl-2-phenyl-5-propan-2-ylimidazole;1-methyl-4-phenyl-5-propan-2-ylimidazole;1-methyl-5-phenyl-4-propan-2-ylimidazole;2-methylpropanamide;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile;2-methylpropylbenzene;2-methylsulfonylpropane;1-phenyl-4-propan-2-ylimidazole;1-phenyl-5-propan-2-ylimidazole;propan-2-ylcyclopropane;1-propan-2-ylimidazole;bis(5-propan-2-yl-1H-imidazole);4-propan-2-ylmorpholine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2-prop-1-ynylpyridine;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole?
The IUPAC name of cumene;1,3-difluoro-2-propan-2-ylbenzene;1,2-dimethoxy-3-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;4-(2-fluoro-5-propan-2-ylphenyl)oxane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-phenyl-4-propan-2-ylimidazole;1-methyl-2-phenyl-5-propan-2-ylimidazole;1-methyl-4-phenyl-5-propan-2-ylimidazole;1-methyl-5-phenyl-4-propan-2-ylimidazole;2-methylpropanamide;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile;2-methylpropylbenzene;2-methylsulfonylpropane;1-phenyl-4-propan-2-ylimidazole;1-phenyl-5-propan-2-ylimidazole;propan-2-ylcyclopropane;1-propan-2-ylimidazole;bis(5-propan-2-yl-1H-imidazole);4-propan-2-ylmorpholine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2-prop-1-ynylpyridine;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole (CID 167634673) is cumene;1,3-difluoro-2-propan-2-ylbenzene;1,2-dimethoxy-3-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;4-(2-fluoro-5-propan-2-ylphenyl)oxane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-phenyl-4-propan-2-ylimidazole;1-methyl-2-phenyl-5-propan-2-ylimidazole;1-methyl-4-phenyl-5-propan-2-ylimidazole;1-methyl-5-phenyl-4-propan-2-ylimidazole;2-methylpropanamide;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile;2-methylpropylbenzene;2-methylsulfonylpropane;1-phenyl-4-propan-2-ylimidazole;1-phenyl-5-propan-2-ylimidazole;propan-2-ylcyclopropane;1-propan-2-ylimidazole;bis(5-propan-2-yl-1H-imidazole);4-propan-2-ylmorpholine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2-prop-1-ynylpyridine;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole.
What is the SMILES notation for cumene;1,3-difluoro-2-propan-2-ylbenzene;1,2-dimethoxy-3-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;4-(2-fluoro-5-propan-2-ylphenyl)oxane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-phenyl-4-propan-2-ylimidazole;1-methyl-2-phenyl-5-propan-2-ylimidazole;1-methyl-4-phenyl-5-propan-2-ylimidazole;1-methyl-5-phenyl-4-propan-2-ylimidazole;2-methylpropanamide;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile;2-methylpropylbenzene;2-methylsulfonylpropane;1-phenyl-4-propan-2-ylimidazole;1-phenyl-5-propan-2-ylimidazole;propan-2-ylcyclopropane;1-propan-2-ylimidazole;bis(5-propan-2-yl-1H-imidazole);4-propan-2-ylmorpholine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2-prop-1-ynylpyridine;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole?
The canonical SMILES for cumene;1,3-difluoro-2-propan-2-ylbenzene;1,2-dimethoxy-3-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;4-(2-fluoro-5-propan-2-ylphenyl)oxane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-phenyl-4-propan-2-ylimidazole;1-methyl-2-phenyl-5-propan-2-ylimidazole;1-methyl-4-phenyl-5-propan-2-ylimidazole;1-methyl-5-phenyl-4-propan-2-ylimidazole;2-methylpropanamide;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile;2-methylpropylbenzene;2-methylsulfonylpropane;1-phenyl-4-propan-2-ylimidazole;1-phenyl-5-propan-2-ylimidazole;propan-2-ylcyclopropane;1-propan-2-ylimidazole;bis(5-propan-2-yl-1H-imidazole);4-propan-2-ylmorpholine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2-prop-1-ynylpyridine;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole is CC#Cc1cc(C(C)C)ccn1.CC(C)C(N)=O.CC(C)C1CC1.CC(C)C1CCOCC1.CC(C)Cc1ccccc1.CC(C)N1CCOCC1.CC(C)S(C)(=O)=O.CC(C)c1c(-c2ccccc2)ncn1C.CC(C)c1c(F)cccc1F.CC(C)c1cc[nH]c1.CC(C)c1ccc(F)c(C2CCOCC2)c1.CC(C)c1ccccc1.CC(C)c1ccnc(C(C)(C)C#N)c1.CC(C)c1ccncc1.CC(C)c1cn(-c2ccccc2)cn1.CC(C)c1cn(C)c(-c2ccccc2)n1.CC(C)c1cn[nH]c1.CC(C)c1cnc(-c2ccccc2)n1C.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cncn1-c1ccccc1.CC(C)c1cncn1C.CC(C)c1cnco1.CC(C)c1cnn(C)c1.CC(C)c1ncco1.CC(C)c1ncn(C)c1-c1ccccc1.CC(C)n1ccnc1.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1OC.Cc1cc(C(C)C)ccn1.Cc1ncc(C(C)C)n1C.
What is the InChIKey of cumene;1,3-difluoro-2-propan-2-ylbenzene;1,2-dimethoxy-3-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;4-(2-fluoro-5-propan-2-ylphenyl)oxane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-phenyl-4-propan-2-ylimidazole;1-methyl-2-phenyl-5-propan-2-ylimidazole;1-methyl-4-phenyl-5-propan-2-ylimidazole;1-methyl-5-phenyl-4-propan-2-ylimidazole;2-methylpropanamide;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile;2-methylpropylbenzene;2-methylsulfonylpropane;1-phenyl-4-propan-2-ylimidazole;1-phenyl-5-propan-2-ylimidazole;propan-2-ylcyclopropane;1-propan-2-ylimidazole;bis(5-propan-2-yl-1H-imidazole);4-propan-2-ylmorpholine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2-prop-1-ynylpyridine;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole?
The InChIKey is OHNCPWCOCUZNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO.4C13H16N2.2C12H14N2.C12H16N2.C11H13N.C11H16O2.C10H14O.C10H14.C9H10F2.C9H13N.C9H12.C8H14N2.C8H11N.C8H16O.2C7H12N2.C7H15NO.C7H11N.4C6H10N2.2C6H9NO.C6H12.C4H9NO.C4H10O2S/c1-10(2)12-3-4-14(15)13(9-12)11-5-7-16-8-6-11;1-10(2)13-12(14-9-15(13)3)11-7-5-4-6-8-11;1-10(2)12-13(15(3)9-14-12)11-7-5-4-6-8-11;1-10(2)12-9-15(3)13(14-12)11-7-5-4-6-8-11;1-10(2)12-9-14-13(15(12)3)11-7-5-4-6-8-11;1-10(2)12-8-14(9-13-12)11-6-4-3-5-7-11;1-10(2)12-8-13-9-14(12)11-6-4-3-5-7-11;1-9(2)10-5-6-14-11(7-10)12(3,4)8-13;1-4-5-11-8-10(9(2)3)6-7-12-11;1-8(2)9-6-5-7-10(12-3)11(9)13-4;1-8(2)9-4-6-10(11-3)7-5-9;1-9(2)8-10-6-4-3-5-7-10;1-6(2)9-7(10)4-3-5-8(9)11;1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-9-7(3)10(8)4;2*1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-8-9(3)5-7;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;2*1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-6(2)8-4-3-7-5-8;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-6;1-3(2)4(5)6;1-4(2)7(3,5)6/h3-4,9-11H,5-8H2,1-2H3;4*4-10H,1-3H3;2*3-10H,1-2H3;5-7,9H,1-4H3;6-9H,1-3H3;5-8H,1-4H3;4-8H,1-3H3;3-7,9H,8H2,1-2H3;3-6H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;5-6H,1-4H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;2*4-6H,1-3H3;7H,3-6H2,1-2H3;3-6,8H,1-2H3;3*3-5H,1-2H3,(H,7,8);3-6H,1-2H3;2*3-5H,1-2H3;5-6H,3-4H2,1-2H3;3H,1-2H3,(H2,5,6);4H,1-3H3.
What are the key properties of cumene;1,3-difluoro-2-propan-2-ylbenzene;1,2-dimethoxy-3-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;4-(2-fluoro-5-propan-2-ylphenyl)oxane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-phenyl-4-propan-2-ylimidazole;1-methyl-2-phenyl-5-propan-2-ylimidazole;1-methyl-4-phenyl-5-propan-2-ylimidazole;1-methyl-5-phenyl-4-propan-2-ylimidazole;2-methylpropanamide;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile;2-methylpropylbenzene;2-methylsulfonylpropane;1-phenyl-4-propan-2-ylimidazole;1-phenyl-5-propan-2-ylimidazole;propan-2-ylcyclopropane;1-propan-2-ylimidazole;bis(5-propan-2-yl-1H-imidazole);4-propan-2-ylmorpholine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2-prop-1-ynylpyridine;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole?
cumene;1,3-difluoro-2-propan-2-ylbenzene;1,2-dimethoxy-3-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;4-(2-fluoro-5-propan-2-ylphenyl)oxane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-phenyl-4-propan-2-ylimidazole;1-methyl-2-phenyl-5-propan-2-ylimidazole;1-methyl-4-phenyl-5-propan-2-ylimidazole;1-methyl-5-phenyl-4-propan-2-ylimidazole;2-methylpropanamide;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile;2-methylpropylbenzene;2-methylsulfonylpropane;1-phenyl-4-propan-2-ylimidazole;1-phenyl-5-propan-2-ylimidazole;propan-2-ylcyclopropane;1-propan-2-ylimidazole;bis(5-propan-2-yl-1H-imidazole);4-propan-2-ylmorpholine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2-prop-1-ynylpyridine;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole has a molecular weight of 4450.50 g/mol, XLogP of 69.56, 43 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;1,3-difluoro-2-propan-2-ylbenzene;1,2-dimethoxy-3-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;4-(2-fluoro-5-propan-2-ylphenyl)oxane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-phenyl-4-propan-2-ylimidazole;1-methyl-2-phenyl-5-propan-2-ylimidazole;1-methyl-4-phenyl-5-propan-2-ylimidazole;1-methyl-5-phenyl-4-propan-2-ylimidazole;2-methylpropanamide;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-2-(4-propan-2-yl-2-pyridinyl)propanenitrile;2-methylpropylbenzene;2-methylsulfonylpropane;1-phenyl-4-propan-2-ylimidazole;1-phenyl-5-propan-2-ylimidazole;propan-2-ylcyclopropane;1-propan-2-ylimidazole;bis(5-propan-2-yl-1H-imidazole);4-propan-2-ylmorpholine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-2-prop-1-ynylpyridine;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole is sourced from PubChem (CID 167634673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).