cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene

C231H284F13N7O6S4 — CID 158835435

IUPACcumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)Cc1cccc(C(F)(F)F)c1.CC(C)Cc1cccc(F)c1.CC(C)Cc1cccc(O)c1.CC(C)Cc1ccccc1.CC(C)c1[nH]c2ccccc2c1CCc1ccncc1.CC(C)c1cc2cc(F)ccc2[nH]1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc(O)c1.CC(C)c1ccccc1.CC(C)c1ccco1.CC(C)c1cccs1.Cc1c(C(C)C)[nH]c2ccc(C(F)(F)F)cc12.Cc1c(C(C)C)[nH]c2ccc(F)cc12.Cc1c(C(C)C)[nH]c2ccccc12.Cc1c(C(C)C)oc2ccccc12.Cc1c(C(C)C)sc2ccccc12.Cc1ccoc1C(C)C.Cc1ccsc1C(C)C
InChIInChI=1S/C18H20N2.C13H14F3N.C12H14FN.C12H15N.C12H14O.C12H14S.C11H13F3.C11H12FN.C11H13N.C11H12O.C11H12S.C10H11F3.C10H13F.C10H14O.C10H14.C9H11F.C9H12O.C9H12.C8H12O.C8H12S.C7H10O.C7H10S/c1-13(2)18-16(8-7-14-9-11-19-12-10-14)15-5-3-4-6-17(15)20-18;1-7(2)12-8(3)10-6-9(13(14,15)16)4-5-11(10)17-12;1-7(2)12-8(3)10-6-9(13)4-5-11(10)14-12;3*1-8(2)12-9(3)10-6-4-5-7-11(10)13-12;1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;3*1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-4-3-5-9(6-8)10(11,12)13;2*1-8(2)6-9-4-3-5-10(11)7-9;1-9(2)8-10-6-4-3-5-7-10;2*1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;2*1-6(2)8-7(3)4-5-9-8;2*1-6(2)7-4-3-5-8-7/h3-6,9-13,20H,7-8H2,1-2H3;4-7,17H,1-3H3;4-7,14H,1-3H3;4-8,13H,1-3H3;2*4-8H,1-3H3;3-5,7-8H,6H2,1-2H3;3-7,13H,1-2H3;3-8,12H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3;3-5,7-8H,6H2,1-2H3;3-5,7-8,11H,6H2,1-2H3;3-7,9H,8H2,1-2H3;3-7H,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;2*4-6H,1-3H3;2*3-6H,1-2H3
InChIKeyIXONQSINLLUQRM-UHFFFAOYSA-N
MW3630.10 g/mol
LogP74.60
Rot. Bonds29

About cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene

cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene (PubChem CID 158835435) has the molecular formula C231H284F13N7O6S4 and a molecular weight of 3630.10 g/mol. Its IUPAC name is cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Namecumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene
PubChem CID158835435
Molecular FormulaC231H284F13N7O6S4
Molecular Weight3630.10 g/mol
Exact Mass3627.08
IUPAC Namecumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)Cc1cccc(C(F)(F)F)c1.CC(C)Cc1cccc(F)c1.CC(C)Cc1cccc(O)c1.CC(C)Cc1ccccc1.CC(C)c1[nH]c2ccccc2c1CCc1ccncc1.CC(C)c1cc2cc(F)ccc2[nH]1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc(O)c1.CC(C)c1ccccc1.CC(C)c1ccco1.CC(C)c1cccs1.Cc1c(C(C)C)[nH]c2ccc(C(F)(F)F)cc12.Cc1c(C(C)C)[nH]c2ccc(F)cc12.Cc1c(C(C)C)[nH]c2ccccc12.Cc1c(C(C)C)oc2ccccc12.Cc1c(C(C)C)sc2ccccc12.Cc1ccoc1C(C)C.Cc1ccsc1C(C)C
InChIInChI=1S/C18H20N2.C13H14F3N.C12H14FN.C12H15N.C12H14O.C12H14S.C11H13F3.C11H12FN.C11H13N.C11H12O.C11H12S.C10H11F3.C10H13F.C10H14O.C10H14.C9H11F.C9H12O.C9H12.C8H12O.C8H12S.C7H10O.C7H10S/c1-13(2)18-16(8-7-14-9-11-19-12-10-14)15-5-3-4-6-17(15)20-18;1-7(2)12-8(3)10-6-9(13(14,15)16)4-5-11(10)17-12;1-7(2)12-8(3)10-6-9(13)4-5-11(10)14-12;3*1-8(2)12-9(3)10-6-4-5-7-11(10)13-12;1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;3*1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-4-3-5-9(6-8)10(11,12)13;2*1-8(2)6-9-4-3-5-10(11)7-9;1-9(2)8-10-6-4-3-5-7-10;2*1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;2*1-6(2)8-7(3)4-5-9-8;2*1-6(2)7-4-3-5-8-7/h3-6,9-13,20H,7-8H2,1-2H3;4-7,17H,1-3H3;4-7,14H,1-3H3;4-8,13H,1-3H3;2*4-8H,1-3H3;3-5,7-8H,6H2,1-2H3;3-7,13H,1-2H3;3-8,12H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3;3-5,7-8H,6H2,1-2H3;3-5,7-8,11H,6H2,1-2H3;3-7,9H,8H2,1-2H3;3-7H,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;2*4-6H,1-3H3;2*3-6H,1-2H3
InChIKeyIXONQSINLLUQRM-UHFFFAOYSA-N
XLogP74.60
TPSA200.65 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds29
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003630.10
LogP ≤ 574.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Analyze cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene with MolForge

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Related Compounds

[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzothiophen-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 88351418
N-(3-tert-butyl-1H-indol-6-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide;N-[4-tert-butyl-5-phenylmethoxy-2-(trifluoromethyl)phenyl]-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide;N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide;N-(1H-indol-6-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide;7-oxo-N-[5-(trifluoromethyl)-1H-indol-6-yl]-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 157592790
N-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide;N-(3-tert-butyl-1H-indol-6-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide;N-(5-tert-butyl-1H-indol-6-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide;N-[4-tert-butyl-5-phenylmethoxy-2-(trifluoromethyl)phenyl]-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide;N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide;N-(1H-indol-6-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide;7-oxo-N-[5-(trifluoromethyl)-1H-indol-6-yl]-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 157642605
1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-3-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(2,5-dimethylfuran-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 158307601
4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene
CID 159644134
2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;trihydrochloride
CID 160348180
2,2-dimethylbutane;1,4-dimethylcyclohexane;1-ethyl-3,5-difluorobenzene;3-ethyl-1H-indole;2-ethylnaphthalene;3-ethylthiophene;2-methoxy-5-methylphenol;1-methoxypropane;2-methyl-1-benzofuran;1-methyl-4-methylsulfanylbenzene;3-methyloxolane;1-methyl-4-(trifluoromethyl)benzene
CID 161883381
Bis(1-benzofuran-3-yl)-(1,1-difluoroethyl)phosphane;bis(1-benzothiophen-3-yl)-(1,1-difluoroethyl)phosphane;1,1-difluoroethyl-bis(furan-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylindol-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylpyrrol-3-yl)phosphane;1,1-difluoroethyl-di(thiophen-3-yl)phosphane
CID 167631421
7-[3-(2-aminoethyl)-1H-indol-5-yl]-3-hydroxynaphthalene-2-carboxylic acid;6-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalen-2-ol;[4-[3-(2-aminoethyl)-1H-indol-5-yl]phenyl]-phenylmethanone;2-[5-(1-benzothiophen-2-yl)-1H-indol-3-yl]ethanamine;2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-[5-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;pentahydrochloride
CID 173262221
5-[8-(1-Benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran
CID 123292338
1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 123653830
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123724688

Frequently Asked Questions

What is the IUPAC name of cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene?
The IUPAC name of cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene (CID 158835435) is cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene.
What is the SMILES notation for cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene?
The canonical SMILES for cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene is CC(C)Cc1cccc(C(F)(F)F)c1.CC(C)Cc1cccc(F)c1.CC(C)Cc1cccc(O)c1.CC(C)Cc1ccccc1.CC(C)c1[nH]c2ccccc2c1CCc1ccncc1.CC(C)c1cc2cc(F)ccc2[nH]1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc(O)c1.CC(C)c1ccccc1.CC(C)c1ccco1.CC(C)c1cccs1.Cc1c(C(C)C)[nH]c2ccc(C(F)(F)F)cc12.Cc1c(C(C)C)[nH]c2ccc(F)cc12.Cc1c(C(C)C)[nH]c2ccccc12.Cc1c(C(C)C)oc2ccccc12.Cc1c(C(C)C)sc2ccccc12.Cc1ccoc1C(C)C.Cc1ccsc1C(C)C.
What is the InChIKey of cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene?
The InChIKey is IXONQSINLLUQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2.C13H14F3N.C12H14FN.C12H15N.C12H14O.C12H14S.C11H13F3.C11H12FN.C11H13N.C11H12O.C11H12S.C10H11F3.C10H13F.C10H14O.C10H14.C9H11F.C9H12O.C9H12.C8H12O.C8H12S.C7H10O.C7H10S/c1-13(2)18-16(8-7-14-9-11-19-12-10-14)15-5-3-4-6-17(15)20-18;1-7(2)12-8(3)10-6-9(13(14,15)16)4-5-11(10)17-12;1-7(2)12-8(3)10-6-9(13)4-5-11(10)14-12;3*1-8(2)12-9(3)10-6-4-5-7-11(10)13-12;1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;3*1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-4-3-5-9(6-8)10(11,12)13;2*1-8(2)6-9-4-3-5-10(11)7-9;1-9(2)8-10-6-4-3-5-7-10;2*1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;2*1-6(2)8-7(3)4-5-9-8;2*1-6(2)7-4-3-5-8-7/h3-6,9-13,20H,7-8H2,1-2H3;4-7,17H,1-3H3;4-7,14H,1-3H3;4-8,13H,1-3H3;2*4-8H,1-3H3;3-5,7-8H,6H2,1-2H3;3-7,13H,1-2H3;3-8,12H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3;3-5,7-8H,6H2,1-2H3;3-5,7-8,11H,6H2,1-2H3;3-7,9H,8H2,1-2H3;3-7H,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;2*4-6H,1-3H3;2*3-6H,1-2H3.
What are the key properties of cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene?
cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene has a molecular weight of 3630.10 g/mol, XLogP of 74.60, 29 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 158835435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).