1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;methane;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;6-propan-2-ylquinoline;bis(8-propan-2-ylquinoline);2-propan-2-ylthiophene;3-propan-2-ylthiophene;8-propan-2-yl-5-(trifluoromethyl)quinoline

C303H375Cl4F5N18O8S4 — CID 158620072

IUPAC1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;methane;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;6-propan-2-ylquinoline;bis(8-propan-2-ylquinoline);2-propan-2-ylthiophene;3-propan-2-ylthiophene;8-propan-2-yl-5-(trifluoromethyl)quinoline
SMILESC.C.C.C.C.CC(C)c1cc(F)cc2cccnc12.CC(C)c1cc2ccccc2s1.CC(C)c1ccc(C(F)(F)F)c2cccnc12.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)c2cccnc12.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CC=C2.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2cccnc12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccsc1.CC(C)c1csc2ccccc12.CC(C)n1ccccc1=O.Cc1cc(C(C)C)c(C)c2c1OCCC2.Cc1ccc(C(C)C)nc1.Cc1ccc2ccc(C)c(C(C)C)c2n1
InChIInChI=1S/C14H15NO.C14H17N.C14H20O.C13H12F3N.2C12H12FN.3C12H13N.C12H16O.C12H14.C11H13N.C11H14O2.C11H14O.C11H12O.2C11H12S.2C10H12N2.C9H10Cl2.C9H11Cl.C9H13N.C8H10ClN.C8H11NO.2C8H11N.2C7H10S.5CH4/c1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;1-9(2)13-10(3)5-7-12-8-6-11(4)15-14(12)13;1-9(2)13-8-10(3)14-12(11(13)4)6-5-7-15-14;1-8(2)9-5-6-11(13(14,15)16)10-4-3-7-17-12(9)10;1-8(2)9-5-6-11(13)10-4-3-7-14-12(9)10;1-8(2)11-7-10(13)6-9-4-3-5-14-12(9)11;2*1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;2*1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-5-4-8(3)6-10-9;1-6(2)8-4-3-7(9)5-10-8;1-7(2)9-6-4-3-5-8(9)10;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;;;;;/h3-5,7,9H,6,8H2,1-2H3;5-9H,1-4H3;8-9H,5-7H2,1-4H3;3-8H,1-2H3;2*3-8H,1-2H3;3*3-9H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3-4,6-9H,5H2,1-2H3;3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3*3-8H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-6H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;5*1H4
InChIKeyHXWPIGJJIKUQJL-UHFFFAOYSA-N
MW4762.52 g/mol
LogP92.29
Rot. Bonds28

About 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;methane;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;6-propan-2-ylquinoline;bis(8-propan-2-ylquinoline);2-propan-2-ylthiophene;3-propan-2-ylthiophene;8-propan-2-yl-5-(trifluoromethyl)quinoline

1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;methane;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;6-propan-2-ylquinoline;bis(8-propan-2-ylquinoline);2-propan-2-ylthiophene;3-propan-2-ylthiophene;8-propan-2-yl-5-(trifluoromethyl)quinoline (PubChem CID 158620072) has the molecular formula C303H375Cl4F5N18O8S4 and a molecular weight of 4762.52 g/mol. Its IUPAC name is 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;methane;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;6-propan-2-ylquinoline;bis(8-propan-2-ylquinoline);2-propan-2-ylthiophene;3-propan-2-ylthiophene;8-propan-2-yl-5-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;methane;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;6-propan-2-ylquinoline;bis(8-propan-2-ylquinoline);2-propan-2-ylthiophene;3-propan-2-ylthiophene;8-propan-2-yl-5-(trifluoromethyl)quinoline
PubChem CID158620072
Molecular FormulaC303H375Cl4F5N18O8S4
Molecular Weight4762.52 g/mol
Exact Mass4756.70
IUPAC Name1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;methane;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;6-propan-2-ylquinoline;bis(8-propan-2-ylquinoline);2-propan-2-ylthiophene;3-propan-2-ylthiophene;8-propan-2-yl-5-(trifluoromethyl)quinoline
SMILESC.C.C.C.C.CC(C)c1cc(F)cc2cccnc12.CC(C)c1cc2ccccc2s1.CC(C)c1ccc(C(F)(F)F)c2cccnc12.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)c2cccnc12.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CC=C2.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2cccnc12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccsc1.CC(C)c1csc2ccccc12.CC(C)n1ccccc1=O.Cc1cc(C(C)C)c(C)c2c1OCCC2.Cc1ccc(C(C)C)nc1.Cc1ccc2ccc(C)c(C(C)C)c2n1
InChIInChI=1S/C14H15NO.C14H17N.C14H20O.C13H12F3N.2C12H12FN.3C12H13N.C12H16O.C12H14.C11H13N.C11H14O2.C11H14O.C11H12O.2C11H12S.2C10H12N2.C9H10Cl2.C9H11Cl.C9H13N.C8H10ClN.C8H11NO.2C8H11N.2C7H10S.5CH4/c1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;1-9(2)13-10(3)5-7-12-8-6-11(4)15-14(12)13;1-9(2)13-8-10(3)14-12(11(13)4)6-5-7-15-14;1-8(2)9-5-6-11(13(14,15)16)10-4-3-7-17-12(9)10;1-8(2)9-5-6-11(13)10-4-3-7-14-12(9)10;1-8(2)11-7-10(13)6-9-4-3-5-14-12(9)11;2*1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;2*1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-5-4-8(3)6-10-9;1-6(2)8-4-3-7(9)5-10-8;1-7(2)9-6-4-3-5-8(9)10;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;;;;;/h3-5,7,9H,6,8H2,1-2H3;5-9H,1-4H3;8-9H,5-7H2,1-4H3;3-8H,1-2H3;2*3-8H,1-2H3;3*3-9H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3-4,6-9H,5H2,1-2H3;3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3*3-8H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-6H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;5*1H4
InChIKeyHXWPIGJJIKUQJL-UHFFFAOYSA-N
XLogP92.29
TPSA318.35 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms342
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004762.52
LogP ≤ 592.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;methane;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;6-propan-2-ylquinoline;bis(8-propan-2-ylquinoline);2-propan-2-ylthiophene;3-propan-2-ylthiophene;8-propan-2-yl-5-(trifluoromethyl)quinoline with MolForge

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Launch Full Analysis

Related Compounds

1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
CID 158088265
1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;bis(10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene);2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
CID 158112888
3-[[4-(1,3-benzodioxol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-[[4-(1-benzothiophen-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-[[4-(4-chlorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-[[4-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 159429440
1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,7-dimethyl-8-propan-2-ylquinoline;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
CID 159569791
1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
CID 160175049
5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;1-chloro-6-methylnaphthalene;4,5-dimethyl-2,1,3-benzothiadiazole;3,8-dimethylquinoline;2-ethylnaphthalene;2-methyl-1H-benzimidazole;4-methyl-2,1,3-benzothiadiazole;6-methyl-3H-1,3-benzothiazol-2-one;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;6-methylchromen-2-one;2-methyldibenzofuran;7-methyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methylisoquinoline;2-methylnaphthalene;8-methylquinoline;2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone;2,2,6-trimethyl-3,4-dihydrochromene
CID 160983574
(3-acetyloxy-5-methylnaphthalen-2-yl) acetate;5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;1-chloro-6-methylnaphthalene;4,5-dimethyl-2,1,3-benzothiadiazole;3,8-dimethylquinoline;2-ethylnaphthalene;2-methyl-1H-benzimidazole;4-methyl-2,1,3-benzothiadiazole;6-methyl-3H-1,3-benzothiazol-2-one;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;6-methylchromen-2-one;2-methyldibenzofuran;7-methyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione;5-methyl-2,3-dihydro-1-benzofuran;5-methylisoquinoline;2-methylnaphthalene;8-methylquinoline;2-propylnaphthalene;2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone;2,2,6-trimethyl-3,4-dihydrochromene
CID 161267164
1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;5-methyl-2-propan-2-ylpyridine;6-methyl-8-propan-2-ylquinoline;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
CID 161421236
1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;5-methyl-2-propan-2-ylpyridine;6-methyl-8-propan-2-ylquinoline;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
CID 161649856
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
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-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;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-methyl-1H-indole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 162001315

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;methane;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;6-propan-2-ylquinoline;bis(8-propan-2-ylquinoline);2-propan-2-ylthiophene;3-propan-2-ylthiophene;8-propan-2-yl-5-(trifluoromethyl)quinoline?
The IUPAC name of 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;methane;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;6-propan-2-ylquinoline;bis(8-propan-2-ylquinoline);2-propan-2-ylthiophene;3-propan-2-ylthiophene;8-propan-2-yl-5-(trifluoromethyl)quinoline (CID 158620072) is 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;methane;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;6-propan-2-ylquinoline;bis(8-propan-2-ylquinoline);2-propan-2-ylthiophene;3-propan-2-ylthiophene;8-propan-2-yl-5-(trifluoromethyl)quinoline.
What is the SMILES notation for 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;methane;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;6-propan-2-ylquinoline;bis(8-propan-2-ylquinoline);2-propan-2-ylthiophene;3-propan-2-ylthiophene;8-propan-2-yl-5-(trifluoromethyl)quinoline?
The canonical SMILES for 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;methane;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;6-propan-2-ylquinoline;bis(8-propan-2-ylquinoline);2-propan-2-ylthiophene;3-propan-2-ylthiophene;8-propan-2-yl-5-(trifluoromethyl)quinoline is C.C.C.C.C.CC(C)c1cc(F)cc2cccnc12.CC(C)c1cc2ccccc2s1.CC(C)c1ccc(C(F)(F)F)c2cccnc12.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)c2cccnc12.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CC=C2.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2cccnc12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccsc1.CC(C)c1csc2ccccc12.CC(C)n1ccccc1=O.Cc1cc(C(C)C)c(C)c2c1OCCC2.Cc1ccc(C(C)C)nc1.Cc1ccc2ccc(C)c(C(C)C)c2n1.
What is the InChIKey of 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;methane;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;6-propan-2-ylquinoline;bis(8-propan-2-ylquinoline);2-propan-2-ylthiophene;3-propan-2-ylthiophene;8-propan-2-yl-5-(trifluoromethyl)quinoline?
The InChIKey is HXWPIGJJIKUQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.C14H17N.C14H20O.C13H12F3N.2C12H12FN.3C12H13N.C12H16O.C12H14.C11H13N.C11H14O2.C11H14O.C11H12O.2C11H12S.2C10H12N2.C9H10Cl2.C9H11Cl.C9H13N.C8H10ClN.C8H11NO.2C8H11N.2C7H10S.5CH4/c1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;1-9(2)13-10(3)5-7-12-8-6-11(4)15-14(12)13;1-9(2)13-8-10(3)14-12(11(13)4)6-5-7-15-14;1-8(2)9-5-6-11(13(14,15)16)10-4-3-7-17-12(9)10;1-8(2)9-5-6-11(13)10-4-3-7-14-12(9)10;1-8(2)11-7-10(13)6-9-4-3-5-14-12(9)11;2*1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;2*1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-5-4-8(3)6-10-9;1-6(2)8-4-3-7(9)5-10-8;1-7(2)9-6-4-3-5-8(9)10;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;;;;;/h3-5,7,9H,6,8H2,1-2H3;5-9H,1-4H3;8-9H,5-7H2,1-4H3;3-8H,1-2H3;2*3-8H,1-2H3;3*3-9H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3-4,6-9H,5H2,1-2H3;3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3*3-8H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-6H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;5*1H4.
What are the key properties of 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;methane;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;6-propan-2-ylquinoline;bis(8-propan-2-ylquinoline);2-propan-2-ylthiophene;3-propan-2-ylthiophene;8-propan-2-yl-5-(trifluoromethyl)quinoline?
1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;methane;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;6-propan-2-ylquinoline;bis(8-propan-2-ylquinoline);2-propan-2-ylthiophene;3-propan-2-ylthiophene;8-propan-2-yl-5-(trifluoromethyl)quinoline has a molecular weight of 4762.52 g/mol, XLogP of 92.29, 28 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;methane;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;6-propan-2-ylquinoline;bis(8-propan-2-ylquinoline);2-propan-2-ylthiophene;3-propan-2-ylthiophene;8-propan-2-yl-5-(trifluoromethyl)quinoline is sourced from PubChem (CID 158620072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).