2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C216H306Cl5F3N30O3S5 — CID 158606593

IUPAC2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1cccc(Cl)c1Cl.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1cnoc1.CC(C)c1cscn1.CC(C)c1nccs1.CC(C)c1ncn(C)n1.CC(C)c1nnn(C)n1.Cc1cc(C(C)C)cc(F)c1F.Cc1cccc(C(C)C)c1
InChIInChI=1S/C10H12F2.C10H14.C9H10Cl2.C9H10ClF.2C9H11Cl.C9H12.6C8H11N.2C7H12N2.3C7H10N2.C7H10O.2C7H10S.C6H11N3.C6H10N2.2C6H9NO.3C6H9NS.C5H10N4/c1-6(2)8-4-7(3)10(12)9(11)5-8;1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-4-3-5-8(10)9(7)11;1-6(2)7-3-4-9(11)8(10)5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;3*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-4-9(3)8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-8-9(3)7-5/h4-6H,1-3H3;4-8H,1-3H3;2*3-6H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;6*3-7H,1-2H3;2*4-6H,1-3H3;3*3-6H,1-2H3;3*3-6H,1-2H3;4-5H,1-3H3;3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;4H,1-3H3
InChIKeyHWHPPUWJTZEIRF-UHFFFAOYSA-N
MW3765.62 g/mol
LogP66.43
Rot. Bonds29

About 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 158606593) has the molecular formula C216H306Cl5F3N30O3S5 and a molecular weight of 3765.62 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
PubChem CID158606593
Molecular FormulaC216H306Cl5F3N30O3S5
Molecular Weight3765.62 g/mol
Exact Mass3760.17
IUPAC Name2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1cccc(Cl)c1Cl.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1cnoc1.CC(C)c1cscn1.CC(C)c1nccs1.CC(C)c1ncn(C)n1.CC(C)c1nnn(C)n1.Cc1cc(C(C)C)cc(F)c1F.Cc1cccc(C(C)C)c1
InChIInChI=1S/C10H12F2.C10H14.C9H10Cl2.C9H10ClF.2C9H11Cl.C9H12.6C8H11N.2C7H12N2.3C7H10N2.C7H10O.2C7H10S.C6H11N3.C6H10N2.2C6H9NO.3C6H9NS.C5H10N4/c1-6(2)8-4-7(3)10(12)9(11)5-8;1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-4-3-5-8(10)9(7)11;1-6(2)7-3-4-9(11)8(10)5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;3*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-4-9(3)8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-8-9(3)7-5/h4-6H,1-3H3;4-8H,1-3H3;2*3-6H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;6*3-7H,1-2H3;2*4-6H,1-3H3;3*3-6H,1-2H3;3*3-6H,1-2H3;4-5H,1-3H3;3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;4H,1-3H3
InChIKeyHWHPPUWJTZEIRF-UHFFFAOYSA-N
XLogP66.43
TPSA397.18 Ų
H-Bond Donors1
H-Bond Acceptors37
Rotatable Bonds29
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003765.62
LogP ≤ 566.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1037

Analyze 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene with MolForge

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Launch Full Analysis

Related Compounds

5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 157320134
CID 157626130
CID 157626130
5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 158786552
5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;2,5-di(propan-2-yl)furan;2-methyl-5-propan-2-ylfuran;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole;1,3,5-trifluoro-2-propan-2-ylbenzene
CID 159194218
3-(4-chlorophenyl)-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 159545667
4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-5-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrrole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole
CID 162281995
4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;1-(difluoromethoxy)-2-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-5-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrrole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-yl-1H-pyrrole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole
CID 162281996
2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-ylpyrazine);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157292200
2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157354440
2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157647868
2-tert-butyl-4-propan-2-ylpyridine;1-chloro-3-propan-2-ylbenzene;cumene;2,4-di(propan-2-yl)pyridine;2-methoxy-1-methyl-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;4-methoxy-3-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylbenzene;tris(2-methyl-4-propan-2-ylpyridine);N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-methylpropylbenzene;4-(2-methylpropyl)pyridine;1-oxido-4-propan-2-ylpyridin-1-ium;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;1-(5-propan-2-ylthiophen-2-yl)ethanone
CID 157833383
cumene;1-(difluoromethyl)-3-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-fluoro-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylfuran;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-3-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylthiophene;propan-2-ylcyclopentane;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;5-propan-2-yloxolan-2-one;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;bis(4-propan-2-ylpyrimidine);3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine
CID 157834308

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The IUPAC name of 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 158606593) is 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.
What is the SMILES notation for 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The canonical SMILES for 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1cccc(Cl)c1Cl.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1cnoc1.CC(C)c1cscn1.CC(C)c1nccs1.CC(C)c1ncn(C)n1.CC(C)c1nnn(C)n1.Cc1cc(C(C)C)cc(F)c1F.Cc1cccc(C(C)C)c1.
What is the InChIKey of 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The InChIKey is HWHPPUWJTZEIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2.C10H14.C9H10Cl2.C9H10ClF.2C9H11Cl.C9H12.6C8H11N.2C7H12N2.3C7H10N2.C7H10O.2C7H10S.C6H11N3.C6H10N2.2C6H9NO.3C6H9NS.C5H10N4/c1-6(2)8-4-7(3)10(12)9(11)5-8;1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-4-3-5-8(10)9(7)11;1-6(2)7-3-4-9(11)8(10)5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;3*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-4-9(3)8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-8-9(3)7-5/h4-6H,1-3H3;4-8H,1-3H3;2*3-6H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;6*3-7H,1-2H3;2*4-6H,1-3H3;3*3-6H,1-2H3;3*3-6H,1-2H3;4-5H,1-3H3;3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;4H,1-3H3.
What are the key properties of 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 3765.62 g/mol, XLogP of 66.43, 29 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 158606593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).