1-chloro-2-methyl-4-propan-2-ylbenzene;tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine

C246H325Cl4F18N9O3 — CID 158223644

IUPAC1-chloro-2-methyl-4-propan-2-ylbenzene;tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnc[nH]1.CC(C)c1ncccn1.COc1ccc(C(C)C)c(F)c1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1C.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1F.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccccc1C(C)C
InChIInChI=1S/3C11H13F3.C11H16O.4C10H13Cl.C10H11F3.C10H13FO.2C10H13F.C10H14O.4C10H14.C9H10F3N.2C9H12.4C8H11N.C7H10N2.C6H10N2/c3*1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;1-8(2)10-5-6-11(12-4)9(3)7-10;3*1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)9-5-4-8(12-3)6-10(9)11;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)9-4-6-10(11-3)7-5-9;3*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-4-8(13-5-7)9(10,11)12;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7;1-5(2)6-3-7-4-8-6/h3*4-7H,1-3H3;5-8H,1-4H3;4*4-7H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;4*4-8H,1-3H3;3-6H,1-2H3;2*3-8H,1-2H3;4*3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyGDNSQLNOHIFXHV-UHFFFAOYSA-N
MW3940.14 g/mol
LogP80.02
Rot. Bonds29

About 1-chloro-2-methyl-4-propan-2-ylbenzene;tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine

1-chloro-2-methyl-4-propan-2-ylbenzene;tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 158223644) has the molecular formula C246H325Cl4F18N9O3 and a molecular weight of 3940.14 g/mol. Its IUPAC name is 1-chloro-2-methyl-4-propan-2-ylbenzene;tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-chloro-2-methyl-4-propan-2-ylbenzene;tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID158223644
Molecular FormulaC246H325Cl4F18N9O3
Molecular Weight3940.14 g/mol
Exact Mass3935.40
IUPAC Name1-chloro-2-methyl-4-propan-2-ylbenzene;tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnc[nH]1.CC(C)c1ncccn1.COc1ccc(C(C)C)c(F)c1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1C.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1F.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccccc1C(C)C
InChIInChI=1S/3C11H13F3.C11H16O.4C10H13Cl.C10H11F3.C10H13FO.2C10H13F.C10H14O.4C10H14.C9H10F3N.2C9H12.4C8H11N.C7H10N2.C6H10N2/c3*1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;1-8(2)10-5-6-11(12-4)9(3)7-10;3*1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)9-5-4-8(12-3)6-10(9)11;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)9-4-6-10(11-3)7-5-9;3*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-4-8(13-5-7)9(10,11)12;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7;1-5(2)6-3-7-4-8-6/h3*4-7H,1-3H3;5-8H,1-4H3;4*4-7H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;4*4-8H,1-3H3;3-6H,1-2H3;2*3-8H,1-2H3;4*3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyGDNSQLNOHIFXHV-UHFFFAOYSA-N
XLogP80.02
TPSA146.60 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds29
Heavy Atoms280
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003940.14
LogP ≤ 580.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1-chloro-2-methyl-4-propan-2-ylbenzene;tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

4-[2-(2,6-dichlorophenyl)-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 44535859
4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 157068955
bis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;bis(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157653688
4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine
CID 157658692
2-(2,4-Dimethylphenyl)pyridine;2-(2,5-dimethylphenyl)pyridine;3-(2,4-dimethylphenyl)pyridine;3-(2,5-dimethylphenyl)pyridine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)pyrimidine;2-fluoro-1,3-dimethyl-4-phenylbenzene;2-(3-fluoro-2,4-dimethylphenyl)pyridine;bis(2-(3-fluoro-2,4-dimethylphenyl)pyrimidine);2-(3-fluoro-5-methylphenyl)-3-methylpyrazine;2-(4-fluoro-2-methylphenyl)pyridine;3-(4-fluoro-2-methylphenyl)pyridine;2-(3-fluoro-2-methylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;methane;2-(4-methoxyphenyl)-3-methylpyrazine;2-methyl-3-[3-(trifluoromethyl)phenyl]pyrazine
CID 157885073
5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxypyrimidine;5-(5-chloro-2-methoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxypyrimidine;4-[5-(3-chlorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]morpholine;4-[5-(4-chlorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]morpholine;4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]pyrimidine
CID 157993017
CID 158112884
CID 158112884
1-Chloro-3-fluoro-2,5-dimethylbenzene;1,3-dichloro-2,5-dimethylbenzene;bis(1,3-difluoro-2,5-dimethylbenzene);2,4-difluoro-3,6-dimethylpyridine;4,6-difluoro-2,5-dimethylpyrimidine;2,5-dimethylpyridine;1,4-dimethyl-2-(trifluoromethoxy)benzene;bis(2-fluoro-1,4-dimethylbenzene);3-fluoro-2,5-dimethylpyrazine;4-fluoro-3,6-dimethylpyridazine;2-fluoro-3,6-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyrimidine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene
CID 158212558
tert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 158402779
2-[7-[4-Chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[7-[6-(difluoromethoxy)-3-pyridinyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[7-[2-(trifluoromethyl)pyrimidin-5-yl]nonyl]-5,6,7,8-tetrahydroquinoline
CID 158529794
2-(Aziridin-1-yl)-6-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;hexakis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylphenol;4-propan-2-ylphenol;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 158588686
2-[(7R)-7-[3-chloro-5-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[6-(difluoromethoxy)-3-pyridinyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[2-(trifluoromethyl)pyrimidin-5-yl]nonyl]-5,6,7,8-tetrahydroquinoline
CID 158919906

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-4-propan-2-ylbenzene;tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 1-chloro-2-methyl-4-propan-2-ylbenzene;tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine (CID 158223644) is 1-chloro-2-methyl-4-propan-2-ylbenzene;tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-chloro-2-methyl-4-propan-2-ylbenzene;tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 1-chloro-2-methyl-4-propan-2-ylbenzene;tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnc[nH]1.CC(C)c1ncccn1.COc1ccc(C(C)C)c(F)c1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1C.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1F.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccccc1C(C)C.
What is the InChIKey of 1-chloro-2-methyl-4-propan-2-ylbenzene;tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is GDNSQLNOHIFXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H13F3.C11H16O.4C10H13Cl.C10H11F3.C10H13FO.2C10H13F.C10H14O.4C10H14.C9H10F3N.2C9H12.4C8H11N.C7H10N2.C6H10N2/c3*1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;1-8(2)10-5-6-11(12-4)9(3)7-10;3*1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)9-5-4-8(12-3)6-10(9)11;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)9-4-6-10(11-3)7-5-9;3*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-4-8(13-5-7)9(10,11)12;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7;1-5(2)6-3-7-4-8-6/h3*4-7H,1-3H3;5-8H,1-4H3;4*4-7H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;4*4-8H,1-3H3;3-6H,1-2H3;2*3-8H,1-2H3;4*3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8).
What are the key properties of 1-chloro-2-methyl-4-propan-2-ylbenzene;tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
1-chloro-2-methyl-4-propan-2-ylbenzene;tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 3940.14 g/mol, XLogP of 80.02, 29 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-4-propan-2-ylbenzene;tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 158223644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).