4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;2-chloro-1-propan-2-ylpyrazolo[1,2-a]pyridazin-4-ium;1-cyclopentyloxy-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;4-(1-fluoroethoxy)-2-propan-2-yl-1H-indole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;5-phenyl-2-propan-2-ylpyridine;4-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-1H-isoindole;7-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole;2,3,7-trimethyl-5-propan-2-ylquinoxaline

C204H260Cl2F3N14O11S+ — CID 159925661

IUPAC4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;2-chloro-1-propan-2-ylpyrazolo[1,2-a]pyridazin-4-ium;1-cyclopentyloxy-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;4-(1-fluoroethoxy)-2-propan-2-yl-1H-indole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;5-phenyl-2-propan-2-ylpyridine;4-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-1H-isoindole;7-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole;2,3,7-trimethyl-5-propan-2-ylquinoxaline
SMILESCC(C)Oc1ccc(Cl)cc1C(C)C.CC(C)c1c(Cl)c[n+]2ccccn12.CC(C)c1cc(F)cc2c1OCOC2.CC(C)c1ccc(-c2ccccc2)cn1.CC(C)c1ccc2cccc(F)c2n1.CC(C)c1cccc2c1CCCN2.CC(C)c1cccc2c1CN=C2.CC(C)c1cccc2c1OCO2.CC(C)c1cccc2ccnn12.CC(C)c1ccccc1OC1CCCC1.CC(F)Oc1cccc2[nH]c(C(C)C)cc12.COc1cc2c(cc1C(C)C)CCC2.Cc1cc(C(C)C)c2nc(C)c(C)nc2c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C)c2c(C)c(C(C)C)[nH]c12.Cc1ccc(S(C)(=O)=O)cc1C(C)C.Cc1noc(-c2ccccc2C(C)C)n1
InChIInChI=1S/C14H18N2.C14H19N.C14H15N.C14H20O.C13H16FNO.C13H18O.C12H17ClO.C12H12FN.C12H14N2O.C12H17N.C11H13FO2.C11H13N.C11H16O2S.C11H16.C10H12ClN2.C10H12N2.C10H12O2/c1-8(2)12-6-9(3)7-13-14(12)16-11(5)10(4)15-13;1-8(2)13-11(5)12-9(3)6-7-10(4)14(12)15-13;1-11(2)14-9-8-13(10-15-14)12-6-4-3-5-7-12;1-11(2)13-9-5-6-10-14(13)15-12-7-3-4-8-12;1-8(2)12-7-10-11(15-12)5-4-6-13(10)16-9(3)14;1-9(2)12-7-10-5-4-6-11(10)8-13(12)14-3;1-8(2)11-7-10(13)5-6-12(11)14-9(3)4;1-8(2)11-7-6-9-4-3-5-10(13)12(9)14-11;1-8(2)10-6-4-5-7-11(10)12-13-9(3)14-15-12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-7(2)10-4-9(12)3-8-5-13-6-14-11(8)10;1-8(2)10-5-3-4-9-6-12-7-11(9)10;1-8(2)11-7-10(14(4,12)13)6-5-9(11)3;1-8(2)11-6-5-9(3)7-10(11)4;1-8(2)10-9(11)7-12-5-3-4-6-13(10)12;1-8(2)10-5-3-4-9-6-7-11-12(9)10;1-7(2)8-4-3-5-9-10(8)12-6-11-9/h6-8H,1-5H3;6-8,15H,1-5H3;3-11H,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;4-9,15H,1-3H3;7-9H,4-6H2,1-3H3;5-9H,1-4H3;3-8H,1-2H3;4-8H,1-3H3;3,5,7,9,13H,4,6,8H2,1-2H3;3-4,7H,5-6H2,1-2H3;3-6,8H,7H2,1-2H3;5-8H,1-4H3;5-8H,1-4H3;3-8H,1-2H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3/q;;;;;;;;;;;;;;+1;;
InChIKeyGDYPTFYQFFMKGZ-UHFFFAOYSA-N
MW3244.38 g/mol
LogP56.08
Rot. Bonds27

About 4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;2-chloro-1-propan-2-ylpyrazolo[1,2-a]pyridazin-4-ium;1-cyclopentyloxy-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;4-(1-fluoroethoxy)-2-propan-2-yl-1H-indole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;5-phenyl-2-propan-2-ylpyridine;4-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-1H-isoindole;7-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole;2,3,7-trimethyl-5-propan-2-ylquinoxaline

4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;2-chloro-1-propan-2-ylpyrazolo[1,2-a]pyridazin-4-ium;1-cyclopentyloxy-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;4-(1-fluoroethoxy)-2-propan-2-yl-1H-indole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;5-phenyl-2-propan-2-ylpyridine;4-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-1H-isoindole;7-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole;2,3,7-trimethyl-5-propan-2-ylquinoxaline (PubChem CID 159925661) has the molecular formula C204H260Cl2F3N14O11S+ and a molecular weight of 3244.38 g/mol. Its IUPAC name is 4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;2-chloro-1-propan-2-ylpyrazolo[1,2-a]pyridazin-4-ium;1-cyclopentyloxy-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;4-(1-fluoroethoxy)-2-propan-2-yl-1H-indole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;5-phenyl-2-propan-2-ylpyridine;4-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-1H-isoindole;7-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole;2,3,7-trimethyl-5-propan-2-ylquinoxaline.

Molecular Properties

Compound Name4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;2-chloro-1-propan-2-ylpyrazolo[1,2-a]pyridazin-4-ium;1-cyclopentyloxy-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;4-(1-fluoroethoxy)-2-propan-2-yl-1H-indole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;5-phenyl-2-propan-2-ylpyridine;4-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-1H-isoindole;7-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole;2,3,7-trimethyl-5-propan-2-ylquinoxaline
PubChem CID159925661
Molecular FormulaC204H260Cl2F3N14O11S+
Molecular Weight3244.38 g/mol
Exact Mass3240.93
IUPAC Name4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;2-chloro-1-propan-2-ylpyrazolo[1,2-a]pyridazin-4-ium;1-cyclopentyloxy-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;4-(1-fluoroethoxy)-2-propan-2-yl-1H-indole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;5-phenyl-2-propan-2-ylpyridine;4-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-1H-isoindole;7-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole;2,3,7-trimethyl-5-propan-2-ylquinoxaline
SMILESCC(C)Oc1ccc(Cl)cc1C(C)C.CC(C)c1c(Cl)c[n+]2ccccn12.CC(C)c1cc(F)cc2c1OCOC2.CC(C)c1ccc(-c2ccccc2)cn1.CC(C)c1ccc2cccc(F)c2n1.CC(C)c1cccc2c1CCCN2.CC(C)c1cccc2c1CN=C2.CC(C)c1cccc2c1OCO2.CC(C)c1cccc2ccnn12.CC(C)c1ccccc1OC1CCCC1.CC(F)Oc1cccc2[nH]c(C(C)C)cc12.COc1cc2c(cc1C(C)C)CCC2.Cc1cc(C(C)C)c2nc(C)c(C)nc2c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C)c2c(C)c(C(C)C)[nH]c12.Cc1ccc(S(C)(=O)=O)cc1C(C)C.Cc1noc(-c2ccccc2C(C)C)n1
InChIInChI=1S/C14H18N2.C14H19N.C14H15N.C14H20O.C13H16FNO.C13H18O.C12H17ClO.C12H12FN.C12H14N2O.C12H17N.C11H13FO2.C11H13N.C11H16O2S.C11H16.C10H12ClN2.C10H12N2.C10H12O2/c1-8(2)12-6-9(3)7-13-14(12)16-11(5)10(4)15-13;1-8(2)13-11(5)12-9(3)6-7-10(4)14(12)15-13;1-11(2)14-9-8-13(10-15-14)12-6-4-3-5-7-12;1-11(2)13-9-5-6-10-14(13)15-12-7-3-4-8-12;1-8(2)12-7-10-11(15-12)5-4-6-13(10)16-9(3)14;1-9(2)12-7-10-5-4-6-11(10)8-13(12)14-3;1-8(2)11-7-10(13)5-6-12(11)14-9(3)4;1-8(2)11-7-6-9-4-3-5-10(13)12(9)14-11;1-8(2)10-6-4-5-7-11(10)12-13-9(3)14-15-12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-7(2)10-4-9(12)3-8-5-13-6-14-11(8)10;1-8(2)10-5-3-4-9-6-12-7-11(9)10;1-8(2)11-7-10(14(4,12)13)6-5-9(11)3;1-8(2)11-6-5-9(3)7-10(11)4;1-8(2)10-9(11)7-12-5-3-4-6-13(10)12;1-8(2)10-5-3-4-9-6-7-11-12(9)10;1-7(2)8-4-3-5-9-10(8)12-6-11-9/h6-8H,1-5H3;6-8,15H,1-5H3;3-11H,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;4-9,15H,1-3H3;7-9H,4-6H2,1-3H3;5-9H,1-4H3;3-8H,1-2H3;4-8H,1-3H3;3,5,7,9,13H,4,6,8H2,1-2H3;3-4,7H,5-6H2,1-2H3;3-6,8H,7H2,1-2H3;5-8H,1-4H3;5-8H,1-4H3;3-8H,1-2H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3/q;;;;;;;;;;;;;;+1;;
InChIKeyGDYPTFYQFFMKGZ-UHFFFAOYSA-N
XLogP56.08
TPSA280.24 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003244.38
LogP ≤ 556.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;2-chloro-1-propan-2-ylpyrazolo[1,2-a]pyridazin-4-ium;1-cyclopentyloxy-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;4-(1-fluoroethoxy)-2-propan-2-yl-1H-indole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;5-phenyl-2-propan-2-ylpyridine;4-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-1H-isoindole;7-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole;2,3,7-trimethyl-5-propan-2-ylquinoxaline with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-4-methyl-1-propan-2-ylbenzene;2-chloro-3-propan-2-ylimidazo[1,2-a]pyridine;4-(difluoromethoxy)-2-propan-2-yl-1H-indole;5,7-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine;7-fluoro-2,3-dimethyl-5-propan-2-ylquinoxaline;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;4-methyl-3-propan-2-ylbenzenesulfonamide;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;2-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzodioxole;8-propan-2-ylisoquinoline;2-propan-2-yl-1,8-naphthyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole
CID 157269778
1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylimidazo[1,2-a]pyridine;4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;1-cyclopentyloxy-2-propan-2-ylbenzene;3,6-dichloro-2-propan-2-ylpyridine;4-(difluoromethoxy)-2-propan-2-yl-1H-indole;1,2-difluoro-3-methyl-4-propan-2-ylbenzene;1,2-difluoro-4-methyl-5-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;4-ethylsulfonyl-1-fluoro-2-propan-2-ylbenzene;7-fluoro-2,3-dimethyl-5-propan-2-ylquinoxaline;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;5-methyl-7-propan-2-yl-1H-indazole;4-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-1H-indole;7-propan-2-ylpyrazolo[1,5-a]pyridine;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;2-propan-2-yl-6-(trifluoromethyl)pyridine;3,4,7-trimethyl-2-propan-2-yl-1H-indole
CID 157531987
2-chloro-4-methyl-1-propan-2-ylbenzene;2-chloro-3-propan-2-ylimidazo[1,2-a]pyridine;4-(difluoromethoxy)-2-propan-2-yl-1H-indole;5,7-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;2-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1H-benzimidazole;8-propan-2-ylisoquinoline;2-propan-2-yl-1,8-naphthyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine;3,4,7-trimethyl-2-propan-2-yl-1H-indole
CID 157804501
2-chloro-3-propan-2-ylimidazo[1,2-a]pyridine;2-(1,1-difluoroethyl)-1-fluoro-3-propan-2-ylbenzene;4-(difluoromethoxy)-2-propan-2-yl-1H-indole;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;methane;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;1-methylsulfonyl-2-propan-2-ylbenzene;5-phenyl-2-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;5-propan-2-ylindolizine;1-propan-2-ylnaphthalene;2-propan-2-yl-1,8-naphthyridine;3,4,7-trimethyl-2-propan-2-yl-1H-indole
CID 158007516
2-chloro-3-propan-2-ylimidazo[1,2-a]pyridine;2,4-dimethyl-1-propan-2-ylbenzene;4-(1-fluoroethoxy)-2-propan-2-yl-1H-indole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;5-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1,6-naphthyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole
CID 157843728
2-chloro-3-propan-2-ylimidazo[1,2-a]pyridine;4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;1-cyclopentyloxy-2-propan-2-ylbenzene;4-(difluoromethoxy)-2-propan-2-yl-1H-indole;2,4-dimethyl-1-propan-2-ylbenzene;4-ethylsulfonyl-1-methyl-2-propan-2-ylbenzene;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;5-methyl-7-propan-2-yl-1H-isoindole;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-ylindolizine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole;2,3,7-trimethyl-5-propan-2-ylquinoxaline
CID 160051724
2-chloro-4-methyl-1-propan-2-ylbenzene;2-chloro-3-propan-2-ylimidazo[1,2-a]pyridine;4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;1-cyclopentyloxy-2-propan-2-ylbenzene;4-(difluoromethoxy)-2-propan-2-yl-1H-indole;4-ethylsulfonyl-1-fluoro-2-propan-2-ylbenzene;7-fluoro-2,3-dimethyl-5-propan-2-ylquinoxaline;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;5-methyl-7-propan-2-yl-1H-indazole;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;4-propan-2-yl-1,3-benzodioxole;7-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole
CID 161022153
2-chloro-4-methyl-1-propan-2-ylbenzene;2-chloro-3-propan-2-ylimidazo[1,2-a]pyridine;4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;4-(difluoromethoxy)-2-propan-2-yl-1H-indole;5,7-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine;7-fluoro-2,3-dimethyl-5-propan-2-ylquinoxaline;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;4-methyl-3-propan-2-ylbenzenesulfonamide;5-methyl-7-propan-2-yl-1H-indazole;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;2-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1,3-benzodioxole;8-propan-2-yl-4H-1,4-benzoxazin-3-one;8-propan-2-ylisoquinoline;2-propan-2-yl-1,8-naphthyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole
CID 162096983
2-chloro-3-propan-2-ylimidazo[1,2-a]pyridine;4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;1-cyclopentyloxy-2-propan-2-ylbenzene;4-(difluoromethoxy)-2-propan-2-yl-1H-indole;2,4-dimethyl-1-propan-2-ylbenzene;4-ethylsulfonyl-1-fluoro-2-propan-2-ylbenzene;7-fluoro-2,3-dimethyl-5-propan-2-ylquinoxaline;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;5-methyl-7-propan-2-yl-1H-indazole;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-ylindolizine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole
CID 162251890

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;2-chloro-1-propan-2-ylpyrazolo[1,2-a]pyridazin-4-ium;1-cyclopentyloxy-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;4-(1-fluoroethoxy)-2-propan-2-yl-1H-indole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;5-phenyl-2-propan-2-ylpyridine;4-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-1H-isoindole;7-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole;2,3,7-trimethyl-5-propan-2-ylquinoxaline?
The IUPAC name of 4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;2-chloro-1-propan-2-ylpyrazolo[1,2-a]pyridazin-4-ium;1-cyclopentyloxy-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;4-(1-fluoroethoxy)-2-propan-2-yl-1H-indole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;5-phenyl-2-propan-2-ylpyridine;4-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-1H-isoindole;7-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole;2,3,7-trimethyl-5-propan-2-ylquinoxaline (CID 159925661) is 4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;2-chloro-1-propan-2-ylpyrazolo[1,2-a]pyridazin-4-ium;1-cyclopentyloxy-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;4-(1-fluoroethoxy)-2-propan-2-yl-1H-indole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;5-phenyl-2-propan-2-ylpyridine;4-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-1H-isoindole;7-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole;2,3,7-trimethyl-5-propan-2-ylquinoxaline.
What is the SMILES notation for 4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;2-chloro-1-propan-2-ylpyrazolo[1,2-a]pyridazin-4-ium;1-cyclopentyloxy-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;4-(1-fluoroethoxy)-2-propan-2-yl-1H-indole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;5-phenyl-2-propan-2-ylpyridine;4-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-1H-isoindole;7-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole;2,3,7-trimethyl-5-propan-2-ylquinoxaline?
The canonical SMILES for 4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;2-chloro-1-propan-2-ylpyrazolo[1,2-a]pyridazin-4-ium;1-cyclopentyloxy-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;4-(1-fluoroethoxy)-2-propan-2-yl-1H-indole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;5-phenyl-2-propan-2-ylpyridine;4-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-1H-isoindole;7-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole;2,3,7-trimethyl-5-propan-2-ylquinoxaline is CC(C)Oc1ccc(Cl)cc1C(C)C.CC(C)c1c(Cl)c[n+]2ccccn12.CC(C)c1cc(F)cc2c1OCOC2.CC(C)c1ccc(-c2ccccc2)cn1.CC(C)c1ccc2cccc(F)c2n1.CC(C)c1cccc2c1CCCN2.CC(C)c1cccc2c1CN=C2.CC(C)c1cccc2c1OCO2.CC(C)c1cccc2ccnn12.CC(C)c1ccccc1OC1CCCC1.CC(F)Oc1cccc2[nH]c(C(C)C)cc12.COc1cc2c(cc1C(C)C)CCC2.Cc1cc(C(C)C)c2nc(C)c(C)nc2c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C)c2c(C)c(C(C)C)[nH]c12.Cc1ccc(S(C)(=O)=O)cc1C(C)C.Cc1noc(-c2ccccc2C(C)C)n1.
What is the InChIKey of 4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;2-chloro-1-propan-2-ylpyrazolo[1,2-a]pyridazin-4-ium;1-cyclopentyloxy-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;4-(1-fluoroethoxy)-2-propan-2-yl-1H-indole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;5-phenyl-2-propan-2-ylpyridine;4-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-1H-isoindole;7-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole;2,3,7-trimethyl-5-propan-2-ylquinoxaline?
The InChIKey is GDYPTFYQFFMKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.C14H19N.C14H15N.C14H20O.C13H16FNO.C13H18O.C12H17ClO.C12H12FN.C12H14N2O.C12H17N.C11H13FO2.C11H13N.C11H16O2S.C11H16.C10H12ClN2.C10H12N2.C10H12O2/c1-8(2)12-6-9(3)7-13-14(12)16-11(5)10(4)15-13;1-8(2)13-11(5)12-9(3)6-7-10(4)14(12)15-13;1-11(2)14-9-8-13(10-15-14)12-6-4-3-5-7-12;1-11(2)13-9-5-6-10-14(13)15-12-7-3-4-8-12;1-8(2)12-7-10-11(15-12)5-4-6-13(10)16-9(3)14;1-9(2)12-7-10-5-4-6-11(10)8-13(12)14-3;1-8(2)11-7-10(13)5-6-12(11)14-9(3)4;1-8(2)11-7-6-9-4-3-5-10(13)12(9)14-11;1-8(2)10-6-4-5-7-11(10)12-13-9(3)14-15-12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-7(2)10-4-9(12)3-8-5-13-6-14-11(8)10;1-8(2)10-5-3-4-9-6-12-7-11(9)10;1-8(2)11-7-10(14(4,12)13)6-5-9(11)3;1-8(2)11-6-5-9(3)7-10(11)4;1-8(2)10-9(11)7-12-5-3-4-6-13(10)12;1-8(2)10-5-3-4-9-6-7-11-12(9)10;1-7(2)8-4-3-5-9-10(8)12-6-11-9/h6-8H,1-5H3;6-8,15H,1-5H3;3-11H,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;4-9,15H,1-3H3;7-9H,4-6H2,1-3H3;5-9H,1-4H3;3-8H,1-2H3;4-8H,1-3H3;3,5,7,9,13H,4,6,8H2,1-2H3;3-4,7H,5-6H2,1-2H3;3-6,8H,7H2,1-2H3;5-8H,1-4H3;5-8H,1-4H3;3-8H,1-2H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3/q;;;;;;;;;;;;;;+1;;.
What are the key properties of 4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;2-chloro-1-propan-2-ylpyrazolo[1,2-a]pyridazin-4-ium;1-cyclopentyloxy-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;4-(1-fluoroethoxy)-2-propan-2-yl-1H-indole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;5-phenyl-2-propan-2-ylpyridine;4-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-1H-isoindole;7-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole;2,3,7-trimethyl-5-propan-2-ylquinoxaline?
4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;2-chloro-1-propan-2-ylpyrazolo[1,2-a]pyridazin-4-ium;1-cyclopentyloxy-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;4-(1-fluoroethoxy)-2-propan-2-yl-1H-indole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;5-phenyl-2-propan-2-ylpyridine;4-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-1H-isoindole;7-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole;2,3,7-trimethyl-5-propan-2-ylquinoxaline has a molecular weight of 3244.38 g/mol, XLogP of 56.08, 27 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-yl-1-propan-2-yloxybenzene;2-chloro-1-propan-2-ylpyrazolo[1,2-a]pyridazin-4-ium;1-cyclopentyloxy-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;4-(1-fluoroethoxy)-2-propan-2-yl-1H-indole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;8-fluoro-2-propan-2-ylquinoline;5-methoxy-6-propan-2-yl-2,3-dihydro-1H-indene;1-methyl-4-methylsulfonyl-2-propan-2-ylbenzene;3-methyl-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole;5-phenyl-2-propan-2-ylpyridine;4-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-1H-isoindole;7-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,4,7-trimethyl-2-propan-2-yl-1H-indole;2,3,7-trimethyl-5-propan-2-ylquinoxaline is sourced from PubChem (CID 159925661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).