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

C234H330Cl7F3N32O3S5 — CID 157354440

IUPAC2-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
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)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)c1cnccn1.CC(C)c1cncnc1.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.Cc1c(Cl)cccc1C(C)C.Cc1cc(C(C)C)cc(F)c1F.Cc1ccc(Cl)cc1C(C)C.Cc1cccc(C(C)C)c1
InChIInChI=1S/2C10H13Cl.C10H12F2.C10H14.C9H10Cl2.C9H10ClF.2C9H11Cl.C9H12.4C8H11N.C7H12N2.C7H10N2.C7H12N2.4C7H10N2.C7H10O.2C7H10S.C6H11N3.C6H10N2.2C6H9NO.3C6H9NS.C5H10N4/c1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)9-5-4-6-10(11)8(9)3;1-6(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;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-5-8-3-4-9-7;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/h2*4-7H,1-3H3;4-6H,1-3H3;4-8H,1-3H3;2*3-6H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;4*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;4*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
InChIKeyBHXMFFBAYRCXOZ-UHFFFAOYSA-N
MW4104.93 g/mol
LogP72.77
Rot. Bonds31

About 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

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 (PubChem CID 157354440) has the molecular formula C234H330Cl7F3N32O3S5 and a molecular weight of 4104.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID157354440
Molecular FormulaC234H330Cl7F3N32O3S5
Molecular Weight4104.93 g/mol
Exact Mass4098.30
IUPAC Name2-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
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)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)c1cnccn1.CC(C)c1cncnc1.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.Cc1c(Cl)cccc1C(C)C.Cc1cc(C(C)C)cc(F)c1F.Cc1ccc(Cl)cc1C(C)C.Cc1cccc(C(C)C)c1
InChIInChI=1S/2C10H13Cl.C10H12F2.C10H14.C9H10Cl2.C9H10ClF.2C9H11Cl.C9H12.4C8H11N.C7H12N2.C7H10N2.C7H12N2.4C7H10N2.C7H10O.2C7H10S.C6H11N3.C6H10N2.2C6H9NO.3C6H9NS.C5H10N4/c1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)9-5-4-6-10(11)8(9)3;1-6(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;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-5-8-3-4-9-7;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/h2*4-7H,1-3H3;4-6H,1-3H3;4-8H,1-3H3;2*3-6H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;4*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;4*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
InChIKeyBHXMFFBAYRCXOZ-UHFFFAOYSA-N
XLogP72.77
TPSA422.96 Ų
H-Bond Donors1
H-Bond Acceptors39
Rotatable Bonds31
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004104.93
LogP ≤ 572.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1039

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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-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
chloromethane;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;N,N-dimethylethanamine;ethane;ethanol;fluoromethane;furan;1H-imidazole;isocyanomethane;docosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pentakis(2-propan-2-ylpyridine);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;bis(2H-triazole)
CID 157841533
5-cyclopropyl-3-propan-2-yl-1,2-oxazole;1-(2,4-dimethylpentan-3-yl)-1,3-diazinan-2-one;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;5-ethyl-3-propan-2-yl-1,2-oxazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole
CID 158090126

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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)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)c1cnccn1.CC(C)c1cncnc1.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.Cc1c(Cl)cccc1C(C)C.Cc1cc(C(C)C)cc(F)c1F.Cc1ccc(Cl)cc1C(C)C.Cc1cccc(C(C)C)c1.
What is the InChIKey of 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?
The InChIKey is BHXMFFBAYRCXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13Cl.C10H12F2.C10H14.C9H10Cl2.C9H10ClF.2C9H11Cl.C9H12.4C8H11N.C7H12N2.C7H10N2.C7H12N2.4C7H10N2.C7H10O.2C7H10S.C6H11N3.C6H10N2.2C6H9NO.3C6H9NS.C5H10N4/c1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)9-5-4-6-10(11)8(9)3;1-6(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;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-5-8-3-4-9-7;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/h2*4-7H,1-3H3;4-6H,1-3H3;4-8H,1-3H3;2*3-6H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;4*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;4*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-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?
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 has a molecular weight of 4104.93 g/mol, XLogP of 72.77, 31 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157354440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).