cumene;2-(1-fluoroethyl)-5-propan-2-ylthiophene;1-fluoro-3-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-(2-phenylethyl)-4-propan-2-ylbenzene;3-propan-2-ylbenzonitrile;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);2-(5-propan-2-ylthiophen-2-yl)furan

C226H347F2N11O4S6 — CID 161112121

IUPACcumene;2-(1-fluoroethyl)-5-propan-2-ylthiophene;1-fluoro-3-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-(2-phenylethyl)-4-propan-2-ylbenzene;3-propan-2-ylbenzonitrile;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);2-(5-propan-2-ylthiophen-2-yl)furan
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(-c2ccco2)s1.CC(C)c1ccc(C(C)F)s1.CC(C)c1ccc(CCc2ccccc2)cc1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1nccs1.COc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C17H20.C11H12OS.C10H11N.C10H14O.6C10H14.C9H13FS.C9H11F.C9H12.C8H13N.2C8H11N.C7H12N2.C7H10N2.C7H10O.2C7H10S.C6H9NO.2C6H9NS.14CH4/c1-14(2)17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15;1-8(2)10-5-6-11(13-10)9-4-3-7-12-9;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-4-6-10(11-3)7-5-9;3*1-8(2)10-6-4-9(3)5-7-10;3*1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-4-5-9(11-8)7(3)10;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-4-6-9(8)3;1-7(2)8-4-3-5-9-6-8;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;3*1-6(2)7-4-3-5-8-7;2*1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;;;;;;;;;;;;;;/h3-7,10-14H,8-9H2,1-2H3;3-8H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;6*4-8H,1-3H3;4-7H,1-3H3;3-7H,1-2H3;3-8H,1-2H3;4-7H,1-3H3;2*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3*3-6H,1-2H3;3*3-5H,1-2H3;14*1H4
InChIKeyUJVFJVKIJJEFCC-UHFFFAOYSA-N
MW3512.73 g/mol
LogP75.68
Rot. Bonds30

About cumene;2-(1-fluoroethyl)-5-propan-2-ylthiophene;1-fluoro-3-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-(2-phenylethyl)-4-propan-2-ylbenzene;3-propan-2-ylbenzonitrile;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);2-(5-propan-2-ylthiophen-2-yl)furan

cumene;2-(1-fluoroethyl)-5-propan-2-ylthiophene;1-fluoro-3-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-(2-phenylethyl)-4-propan-2-ylbenzene;3-propan-2-ylbenzonitrile;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);2-(5-propan-2-ylthiophen-2-yl)furan (PubChem CID 161112121) has the molecular formula C226H347F2N11O4S6 and a molecular weight of 3512.73 g/mol. Its IUPAC name is cumene;2-(1-fluoroethyl)-5-propan-2-ylthiophene;1-fluoro-3-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-(2-phenylethyl)-4-propan-2-ylbenzene;3-propan-2-ylbenzonitrile;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);2-(5-propan-2-ylthiophen-2-yl)furan.

Molecular Properties

Compound Namecumene;2-(1-fluoroethyl)-5-propan-2-ylthiophene;1-fluoro-3-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-(2-phenylethyl)-4-propan-2-ylbenzene;3-propan-2-ylbenzonitrile;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);2-(5-propan-2-ylthiophen-2-yl)furan
PubChem CID161112121
Molecular FormulaC226H347F2N11O4S6
Molecular Weight3512.73 g/mol
Exact Mass3509.56
IUPAC Namecumene;2-(1-fluoroethyl)-5-propan-2-ylthiophene;1-fluoro-3-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-(2-phenylethyl)-4-propan-2-ylbenzene;3-propan-2-ylbenzonitrile;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);2-(5-propan-2-ylthiophen-2-yl)furan
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(-c2ccco2)s1.CC(C)c1ccc(C(C)F)s1.CC(C)c1ccc(CCc2ccccc2)cc1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1nccs1.COc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C17H20.C11H12OS.C10H11N.C10H14O.6C10H14.C9H13FS.C9H11F.C9H12.C8H13N.2C8H11N.C7H12N2.C7H10N2.C7H10O.2C7H10S.C6H9NO.2C6H9NS.14CH4/c1-14(2)17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15;1-8(2)10-5-6-11(13-10)9-4-3-7-12-9;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-4-6-10(11-3)7-5-9;3*1-8(2)10-6-4-9(3)5-7-10;3*1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-4-5-9(11-8)7(3)10;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-4-6-9(8)3;1-7(2)8-4-3-5-9-6-8;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;3*1-6(2)7-4-3-5-8-7;2*1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;;;;;;;;;;;;;;/h3-7,10-14H,8-9H2,1-2H3;3-8H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;6*4-8H,1-3H3;4-7H,1-3H3;3-7H,1-2H3;3-8H,1-2H3;4-7H,1-3H3;2*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3*3-6H,1-2H3;3*3-5H,1-2H3;14*1H4
InChIKeyUJVFJVKIJJEFCC-UHFFFAOYSA-N
XLogP75.68
TPSA185.42 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds30
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003512.73
LogP ≤ 575.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze cumene;2-(1-fluoroethyl)-5-propan-2-ylthiophene;1-fluoro-3-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-(2-phenylethyl)-4-propan-2-ylbenzene;3-propan-2-ylbenzonitrile;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);2-(5-propan-2-ylthiophen-2-yl)furan with MolForge

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Related Compounds

2-[3,5-Bis(trifluoromethyl)phenyl]-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-oxazole;2-(4-fluorophenyl)-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(4-fluorophenyl)-5-methyl-1,3-thiazole;2-methyl-5-phenyl-1,2,4-oxadiazol-2-ium;4-methyl-2-phenyl-1,3-oxazole;5-methyl-2-phenyl-1,3-oxazole;5-methyl-2-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole;2-phenyl-1,3,4-oxadiazole;2-phenyl-1,3,4-thiadiazole;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 158057893
cumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 158110433
2-Amino-5-[2-fluoro-5-(furan-3-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 158760585
CID 160278972
CID 160278972
2,3-dimethylfuran;2,5-dimethylfuran;1,3-dimethylpyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyltetrazole;bis(2,3-dimethylthiophene);2,5-dimethylthiophene;3,4-dimethylthiophene;2-fluoro-1-methoxy-4-methylbenzene;2-methoxy-4,5-dimethylpyridine;2-methoxy-5-methylpyridine;2-methoxy-6-methylpyridine;3-methoxy-2-methylpyridine;3-methoxy-5-methylpyridine;2-methylfuran;3-methylfuran;5-methyl-1,3-oxazole;2-methylpyridine;5-methylpyridine-3-carbonitrile;1-methylpyrrole;1-methyltetrazole;5-methyl-2H-tetrazole;3-methylthiophene;4-methyl-1,2,4-triazole;2-methyl-3-(trifluoromethyl)pyridine;3,4,5-trimethyl-1,2-oxazole;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;2,3,5-trimethylthiophene;1,3-xylene
CID 160367838
2-Amino-5-[4-fluoro-3-(2-fluoropyrimidin-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(furan-3-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(2-methylpyrimidin-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(1,3-oxazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-(4-fluoro-3-thiophen-3-ylphenyl)-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 160685595
2-Amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methylpyrimidin-5-yl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(1,3-oxazol-4-yl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-thiophen-3-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 161609887
1-tert-butyl-4-propan-2-ylcyclohexane;2-tert-butyl-5-propan-2-ylthiophene;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;3,4-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)cyclohexane;1-ethyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-2H-pyrrole;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2,2,3-trimethylbutan-1-ol
CID 161694450
cumene;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;bis(1-methyl-3-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;(5-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 161888980
2-Cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 162231162
2,4-Dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzoxazole;ethane;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;4-methyl-2-(4-methylphenyl)thiophene;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene
CID 157060617
2,5-Dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene
CID 157088584

Frequently Asked Questions

What is the IUPAC name of cumene;2-(1-fluoroethyl)-5-propan-2-ylthiophene;1-fluoro-3-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-(2-phenylethyl)-4-propan-2-ylbenzene;3-propan-2-ylbenzonitrile;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);2-(5-propan-2-ylthiophen-2-yl)furan?
The IUPAC name of cumene;2-(1-fluoroethyl)-5-propan-2-ylthiophene;1-fluoro-3-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-(2-phenylethyl)-4-propan-2-ylbenzene;3-propan-2-ylbenzonitrile;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);2-(5-propan-2-ylthiophen-2-yl)furan (CID 161112121) is cumene;2-(1-fluoroethyl)-5-propan-2-ylthiophene;1-fluoro-3-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-(2-phenylethyl)-4-propan-2-ylbenzene;3-propan-2-ylbenzonitrile;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);2-(5-propan-2-ylthiophen-2-yl)furan.
What is the SMILES notation for cumene;2-(1-fluoroethyl)-5-propan-2-ylthiophene;1-fluoro-3-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-(2-phenylethyl)-4-propan-2-ylbenzene;3-propan-2-ylbenzonitrile;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);2-(5-propan-2-ylthiophen-2-yl)furan?
The canonical SMILES for cumene;2-(1-fluoroethyl)-5-propan-2-ylthiophene;1-fluoro-3-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-(2-phenylethyl)-4-propan-2-ylbenzene;3-propan-2-ylbenzonitrile;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);2-(5-propan-2-ylthiophen-2-yl)furan is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(-c2ccco2)s1.CC(C)c1ccc(C(C)F)s1.CC(C)c1ccc(CCc2ccccc2)cc1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1nccs1.COc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.
What is the InChIKey of cumene;2-(1-fluoroethyl)-5-propan-2-ylthiophene;1-fluoro-3-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-(2-phenylethyl)-4-propan-2-ylbenzene;3-propan-2-ylbenzonitrile;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);2-(5-propan-2-ylthiophen-2-yl)furan?
The InChIKey is UJVFJVKIJJEFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.C11H12OS.C10H11N.C10H14O.6C10H14.C9H13FS.C9H11F.C9H12.C8H13N.2C8H11N.C7H12N2.C7H10N2.C7H10O.2C7H10S.C6H9NO.2C6H9NS.14CH4/c1-14(2)17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15;1-8(2)10-5-6-11(13-10)9-4-3-7-12-9;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-4-6-10(11-3)7-5-9;3*1-8(2)10-6-4-9(3)5-7-10;3*1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-4-5-9(11-8)7(3)10;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-4-6-9(8)3;1-7(2)8-4-3-5-9-6-8;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;3*1-6(2)7-4-3-5-8-7;2*1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;;;;;;;;;;;;;;/h3-7,10-14H,8-9H2,1-2H3;3-8H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;6*4-8H,1-3H3;4-7H,1-3H3;3-7H,1-2H3;3-8H,1-2H3;4-7H,1-3H3;2*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3*3-6H,1-2H3;3*3-5H,1-2H3;14*1H4.
What are the key properties of cumene;2-(1-fluoroethyl)-5-propan-2-ylthiophene;1-fluoro-3-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-(2-phenylethyl)-4-propan-2-ylbenzene;3-propan-2-ylbenzonitrile;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);2-(5-propan-2-ylthiophen-2-yl)furan?
cumene;2-(1-fluoroethyl)-5-propan-2-ylthiophene;1-fluoro-3-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-(2-phenylethyl)-4-propan-2-ylbenzene;3-propan-2-ylbenzonitrile;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);2-(5-propan-2-ylthiophen-2-yl)furan has a molecular weight of 3512.73 g/mol, XLogP of 75.68, 30 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2-(1-fluoroethyl)-5-propan-2-ylthiophene;1-fluoro-3-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-(2-phenylethyl)-4-propan-2-ylbenzene;3-propan-2-ylbenzonitrile;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);2-(5-propan-2-ylthiophen-2-yl)furan is sourced from PubChem (CID 161112121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).