2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;3-chloro-2,4-di(propan-2-yl)thiophene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,4-di(propan-2-yl)thiophene);bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene

C221H350BrCl3F7N9OS4 — CID 157347648

IUPAC2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;3-chloro-2,4-di(propan-2-yl)thiophene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,4-di(propan-2-yl)thiophene);bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene
SMILESCC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)c1c[nH]c(C(C)C)c1.CC(C)c1cc(F)c(C(C)C)c(Cl)c1.CC(C)c1cc(F)c(C(C)C)c(F)c1.CC(C)c1cc(F)c(C(C)C)cc1F.CC(C)c1ccc(C(C)C)c(Br)c1.CC(C)c1ccc(C(C)C)c(Cl)c1.CC(C)c1ccc(C(C)C)c(F)c1.CC(C)c1ccc(C(C)C)c(F)c1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1coc(C(C)C)c1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)c1Cl.CC(C)c1csc(C(C)C)n1.Cc1cc(C(C)C)ccc1C(C)C
InChIInChI=1S/C13H20.C12H17Br.C12H16ClF.C12H17Cl.2C12H16F2.2C12H17F.C12H18.2C11H23N.C11H17N.C10H15ClS.C10H22N2.C10H16N2.C10H17N.C10H16O.2C10H16S.C9H15NS/c1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-7(2)9-5-10(13)12(8(3)4)11(14)6-9;1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-7(2)9-5-12(14)10(8(3)4)6-11(9)13;1-7(2)9-5-10(13)12(8(3)4)11(14)6-9;2*1-8(2)10-5-6-11(9(3)4)12(13)7-10;3*1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;1-6(2)8-5-12-10(7(3)4)9(8)11;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;4*1-7(2)9-5-10(8(3)4)11-6-9;1-6(2)8-5-11-9(10-8)7(3)4/h6-10H,1-5H3;5-9H,1-4H3;5-8H,1-4H3;5-9H,1-4H3;2*5-8H,1-4H3;2*5-9H,1-4H3;5-10H,1-4H3;2*9-11H,5-8H2,1-4H3;5-9H,1-4H3;5-7H,1-4H3;9-10H,5-8H2,1-4H3;5-8H,1-4H3;5-8,11H,1-4H3;3*5-8H,1-4H3;5-7H,1-4H3
InChIKeyBHDVHQBHPUOMSY-UHFFFAOYSA-N
MW3596.81 g/mol
LogP74.57
Rot. Bonds40

About 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;3-chloro-2,4-di(propan-2-yl)thiophene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,4-di(propan-2-yl)thiophene);bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene

2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;3-chloro-2,4-di(propan-2-yl)thiophene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,4-di(propan-2-yl)thiophene);bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene (PubChem CID 157347648) has the molecular formula C221H350BrCl3F7N9OS4 and a molecular weight of 3596.81 g/mol. Its IUPAC name is 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;3-chloro-2,4-di(propan-2-yl)thiophene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,4-di(propan-2-yl)thiophene);bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene.

Molecular Properties

Compound Name2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;3-chloro-2,4-di(propan-2-yl)thiophene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,4-di(propan-2-yl)thiophene);bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene
PubChem CID157347648
Molecular FormulaC221H350BrCl3F7N9OS4
Molecular Weight3596.81 g/mol
Exact Mass3591.46
IUPAC Name2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;3-chloro-2,4-di(propan-2-yl)thiophene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,4-di(propan-2-yl)thiophene);bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene
SMILESCC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)c1c[nH]c(C(C)C)c1.CC(C)c1cc(F)c(C(C)C)c(Cl)c1.CC(C)c1cc(F)c(C(C)C)c(F)c1.CC(C)c1cc(F)c(C(C)C)cc1F.CC(C)c1ccc(C(C)C)c(Br)c1.CC(C)c1ccc(C(C)C)c(Cl)c1.CC(C)c1ccc(C(C)C)c(F)c1.CC(C)c1ccc(C(C)C)c(F)c1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1coc(C(C)C)c1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)c1Cl.CC(C)c1csc(C(C)C)n1.Cc1cc(C(C)C)ccc1C(C)C
InChIInChI=1S/C13H20.C12H17Br.C12H16ClF.C12H17Cl.2C12H16F2.2C12H17F.C12H18.2C11H23N.C11H17N.C10H15ClS.C10H22N2.C10H16N2.C10H17N.C10H16O.2C10H16S.C9H15NS/c1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-7(2)9-5-10(13)12(8(3)4)11(14)6-9;1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-7(2)9-5-12(14)10(8(3)4)6-11(9)13;1-7(2)9-5-10(13)12(8(3)4)11(14)6-9;2*1-8(2)10-5-6-11(9(3)4)12(13)7-10;3*1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;1-6(2)8-5-12-10(7(3)4)9(8)11;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;4*1-7(2)9-5-10(8(3)4)11-6-9;1-6(2)8-5-11-9(10-8)7(3)4/h6-10H,1-5H3;5-9H,1-4H3;5-8H,1-4H3;5-9H,1-4H3;2*5-8H,1-4H3;2*5-9H,1-4H3;5-10H,1-4H3;2*9-11H,5-8H2,1-4H3;5-9H,1-4H3;5-7H,1-4H3;9-10H,5-8H2,1-4H3;5-8H,1-4H3;5-8,11H,1-4H3;3*5-8H,1-4H3;5-7H,1-4H3
InChIKeyBHDVHQBHPUOMSY-UHFFFAOYSA-N
XLogP74.57
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds40
Heavy Atoms246
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003596.81
LogP ≤ 574.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;3-chloro-2,4-di(propan-2-yl)thiophene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,4-di(propan-2-yl)thiophene);bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene with MolForge

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Related Compounds

1-bromo-3-chloro-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;2-methylfuran;5-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene
CID 157126358
4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157968634
1-chloro-3-propan-2-ylbenzene;cumene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-(4-propan-2-ylphenyl)pyrimidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;bis(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 159026590
1-bromo-3-chloro-2-methylbenzene;but-1-ene;bis(1-chloro-2,3-dimethylbenzene);2-chloro-1,3-dimethylbenzene;bis(2-chloro-1,4-dimethylbenzene);1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;2,2-dimethylpropane;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;methane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylfuran;5-methyl-1H-imidazole;2-methylpropane;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene
CID 159302120
4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;bis(1-propan-2-yl-4-(trifluoromethyl)benzene)
CID 159418048
bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 160219326
4-chloro-1,2-dimethylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;cumene;1,2-dimethyl-5-propan-2-ylimidazole;1,2-dimethyl-4-(trifluoromethyl)benzene;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-1,2-dimethylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;1,2-xylene
CID 160272212
CID 160747097
CID 160747097
4-chloro-2-methyl-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylcyclopenta-1,3-diene);2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;tris(1-propan-2-ylcyclopenta-1,3-diene);5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;bis(1-propan-2-yl-4-(trifluoromethyl)benzene)
CID 160885564
4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1H-imidazole);1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;dihydrochloride
CID 160990691
CID 161363753
CID 161363753
4-chloro-2-methyl-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161772147

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;3-chloro-2,4-di(propan-2-yl)thiophene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,4-di(propan-2-yl)thiophene);bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene?
The IUPAC name of 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;3-chloro-2,4-di(propan-2-yl)thiophene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,4-di(propan-2-yl)thiophene);bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene (CID 157347648) is 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;3-chloro-2,4-di(propan-2-yl)thiophene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,4-di(propan-2-yl)thiophene);bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene.
What is the SMILES notation for 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;3-chloro-2,4-di(propan-2-yl)thiophene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,4-di(propan-2-yl)thiophene);bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene?
The canonical SMILES for 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;3-chloro-2,4-di(propan-2-yl)thiophene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,4-di(propan-2-yl)thiophene);bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene is CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)c1c[nH]c(C(C)C)c1.CC(C)c1cc(F)c(C(C)C)c(Cl)c1.CC(C)c1cc(F)c(C(C)C)c(F)c1.CC(C)c1cc(F)c(C(C)C)cc1F.CC(C)c1ccc(C(C)C)c(Br)c1.CC(C)c1ccc(C(C)C)c(Cl)c1.CC(C)c1ccc(C(C)C)c(F)c1.CC(C)c1ccc(C(C)C)c(F)c1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1coc(C(C)C)c1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)c1Cl.CC(C)c1csc(C(C)C)n1.Cc1cc(C(C)C)ccc1C(C)C.
What is the InChIKey of 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;3-chloro-2,4-di(propan-2-yl)thiophene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,4-di(propan-2-yl)thiophene);bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene?
The InChIKey is BHDVHQBHPUOMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C12H17Br.C12H16ClF.C12H17Cl.2C12H16F2.2C12H17F.C12H18.2C11H23N.C11H17N.C10H15ClS.C10H22N2.C10H16N2.C10H17N.C10H16O.2C10H16S.C9H15NS/c1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-7(2)9-5-10(13)12(8(3)4)11(14)6-9;1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-7(2)9-5-12(14)10(8(3)4)6-11(9)13;1-7(2)9-5-10(13)12(8(3)4)11(14)6-9;2*1-8(2)10-5-6-11(9(3)4)12(13)7-10;3*1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;1-6(2)8-5-12-10(7(3)4)9(8)11;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;4*1-7(2)9-5-10(8(3)4)11-6-9;1-6(2)8-5-11-9(10-8)7(3)4/h6-10H,1-5H3;5-9H,1-4H3;5-8H,1-4H3;5-9H,1-4H3;2*5-8H,1-4H3;2*5-9H,1-4H3;5-10H,1-4H3;2*9-11H,5-8H2,1-4H3;5-9H,1-4H3;5-7H,1-4H3;9-10H,5-8H2,1-4H3;5-8H,1-4H3;5-8,11H,1-4H3;3*5-8H,1-4H3;5-7H,1-4H3.
What are the key properties of 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;3-chloro-2,4-di(propan-2-yl)thiophene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,4-di(propan-2-yl)thiophene);bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene?
2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;3-chloro-2,4-di(propan-2-yl)thiophene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,4-di(propan-2-yl)thiophene);bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene has a molecular weight of 3596.81 g/mol, XLogP of 74.57, 40 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;3-chloro-2,4-di(propan-2-yl)thiophene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,4-di(propan-2-yl)thiophene);bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene is sourced from PubChem (CID 157347648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).