1-tert-butyl-4-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(1-(3-tert-butyl-2-methylphenyl)imidazole);2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole

C194H248F2N24O4 — CID 158810310

IUPAC1-tert-butyl-4-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(1-(3-tert-butyl-2-methylphenyl)imidazole);2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole
SMILESCC(C)(C)c1cccc(-c2ncco2)c1.CC(C)(C)c1cccc(-n2cccn2)c1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)(C)c1cccc(-n2cncn2)c1.CC(C)(C)c1cccc2ccccc12.CC(F)(F)Oc1ccc(C(C)(C)C)cc1.COc1cccc(C(C)(C)C)c1.Cc1c(-c2ncco2)cccc1C(C)(C)C.Cc1c(-n2cccn2)cccc1C(C)(C)C.Cc1c(-n2ccnc2)cccc1C(C)(C)C.Cc1c(-n2ccnc2)cccc1C(C)(C)C.Cc1c(-n2ccnn2)cccc1C(C)(C)C.Cc1c(-n2ccnn2)cccc1C(C)(C)C.Cc1c(-n2nccn2)cccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/3C14H18N2.C14H17NO.C14H16.3C13H17N3.2C13H16N2.C13H15NO.C12H16F2O.C12H15N3.C11H16O.C11H16/c1-11-12(14(2,3)4)7-5-8-13(11)16-10-6-9-15-16;2*1-11-12(14(2,3)4)6-5-7-13(11)16-9-8-15-10-16;1-10-11(13-15-8-9-16-13)6-5-7-12(10)14(2,3)4;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;2*1-10-11(13(2,3)4)6-5-7-12(10)16-9-8-14-15-16;1-10-11(13(2,3)4)6-5-7-12(10)16-14-8-9-15-16;1-13(2,3)11-6-4-7-12(10-11)15-9-5-8-14-15;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-13(2,3)11-6-4-5-10(9-11)12-14-7-8-15-12;1-11(2,3)9-5-7-10(8-6-9)15-12(4,13)14;1-12(2,3)10-5-4-6-11(7-10)15-9-13-8-14-15;1-11(2,3)9-6-5-7-10(8-9)12-4;1-9-5-7-10(8-6-9)11(2,3)4/h3*5-10H,1-4H3;5-9H,1-4H3;4-10H,1-3H3;3*5-9H,1-4H3;2*4-10H,1-3H3;4-9H,1-3H3;5-8H,1-4H3;4-9H,1-3H3;5-8H,1-4H3;5-8H,1-4H3
InChIKeyIUPFVHPNISNZFD-UHFFFAOYSA-N
MW3018.28 g/mol
LogP49.94
Rot. Bonds14

About 1-tert-butyl-4-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(1-(3-tert-butyl-2-methylphenyl)imidazole);2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole

1-tert-butyl-4-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(1-(3-tert-butyl-2-methylphenyl)imidazole);2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole (PubChem CID 158810310) has the molecular formula C194H248F2N24O4 and a molecular weight of 3018.28 g/mol. Its IUPAC name is 1-tert-butyl-4-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(1-(3-tert-butyl-2-methylphenyl)imidazole);2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-tert-butyl-4-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(1-(3-tert-butyl-2-methylphenyl)imidazole);2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole
PubChem CID158810310
Molecular FormulaC194H248F2N24O4
Molecular Weight3018.28 g/mol
Exact Mass3015.99
IUPAC Name1-tert-butyl-4-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(1-(3-tert-butyl-2-methylphenyl)imidazole);2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole
SMILESCC(C)(C)c1cccc(-c2ncco2)c1.CC(C)(C)c1cccc(-n2cccn2)c1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)(C)c1cccc(-n2cncn2)c1.CC(C)(C)c1cccc2ccccc12.CC(F)(F)Oc1ccc(C(C)(C)C)cc1.COc1cccc(C(C)(C)C)c1.Cc1c(-c2ncco2)cccc1C(C)(C)C.Cc1c(-n2cccn2)cccc1C(C)(C)C.Cc1c(-n2ccnc2)cccc1C(C)(C)C.Cc1c(-n2ccnc2)cccc1C(C)(C)C.Cc1c(-n2ccnn2)cccc1C(C)(C)C.Cc1c(-n2ccnn2)cccc1C(C)(C)C.Cc1c(-n2nccn2)cccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/3C14H18N2.C14H17NO.C14H16.3C13H17N3.2C13H16N2.C13H15NO.C12H16F2O.C12H15N3.C11H16O.C11H16/c1-11-12(14(2,3)4)7-5-8-13(11)16-10-6-9-15-16;2*1-11-12(14(2,3)4)6-5-7-13(11)16-9-8-15-10-16;1-10-11(13-15-8-9-16-13)6-5-7-12(10)14(2,3)4;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;2*1-10-11(13(2,3)4)6-5-7-12(10)16-9-8-14-15-16;1-10-11(13(2,3)4)6-5-7-12(10)16-14-8-9-15-16;1-13(2,3)11-6-4-7-12(10-11)15-9-5-8-14-15;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-13(2,3)11-6-4-5-10(9-11)12-14-7-8-15-12;1-11(2,3)9-5-7-10(8-6-9)15-12(4,13)14;1-12(2,3)10-5-4-6-11(7-10)15-9-13-8-14-15;1-11(2,3)9-6-5-7-10(8-9)12-4;1-9-5-7-10(8-6-9)11(2,3)4/h3*5-10H,1-4H3;5-9H,1-4H3;4-10H,1-3H3;3*5-9H,1-4H3;2*4-10H,1-3H3;4-9H,1-3H3;5-8H,1-4H3;4-9H,1-3H3;5-8H,1-4H3;5-8H,1-4H3
InChIKeyIUPFVHPNISNZFD-UHFFFAOYSA-N
XLogP49.94
TPSA282.46 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds14
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003018.28
LogP ≤ 549.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 1-tert-butyl-4-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(1-(3-tert-butyl-2-methylphenyl)imidazole);2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole with MolForge

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Related Compounds

1-(3-Tert-butylphenyl)imidazole;1,4-dichloro-2-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-(1-methylpyrazol-4-yl)-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;bis(5-(3-propan-2-ylphenyl)-1,3-oxazole);3-(3-propan-2-ylphenyl)pyridine;bis(1-propan-2-yl-3-propan-2-yloxybenzene);1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 158292445
3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)-1,2,4-triazole;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole
CID 158483448
4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-4-(1,1-difluoroethoxy)benzene;5-tert-butyl-1,2-difluoro-3-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;2-(3-tert-butyl-2-methylphenyl)triazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole
CID 158850804
1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;5-tert-butyl-1,2-difluoro-3-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;2-(3-tert-butylphenyl)-1,3-dioxolane;1-(3-tert-butylphenyl)imidazole;1-[(3-tert-butylphenyl)methyl]piperidine;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 160205495
2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1-[2,3-di(propan-2-yl)phenyl]ethanol;1,4-di(propan-2-yl)pyrazole;methane;4-methyl-1,2-di(propan-2-yl)benzene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole
CID 160485260
4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-4-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzene;5-tert-butyl-1,2-difluoro-3-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;2-(3-tert-butylphenyl)-1,3-dioxolane;1-(3-tert-butylphenyl)imidazole;1-[(3-tert-butylphenyl)methyl]piperidine;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole
CID 160910443
1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);4-(3-tert-butyl-2-methylphenyl)-1H-pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;4-(3-tert-butyl-2-methylphenyl)-1,2,4-triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole
CID 161911064
2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;methane;4-methyl-1,2-di(propan-2-yl)benzene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole
CID 164983382
N-[[2-(4-fluoropyrazol-1-yl)phenyl]methyl]propan-2-amine;N-[(2-fluoro-6-pyrazol-1-ylphenyl)methyl]propan-2-amine;N-[(2-imidazol-1-ylphenyl)methyl]propan-2-amine;N-[[2-(1H-imidazol-5-yl)phenyl]methyl]propan-2-amine;N-[[2-(4-methoxypyrazol-1-yl)phenyl]methyl]propan-2-amine;N-[[2-(1-methylimidazol-4-yl)phenyl]methyl]propan-2-amine;N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine;N-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine;N-[(4-methyl-2-pyrazol-1-ylphenyl)methyl]propan-2-amine;N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]propan-2-amine;1-[2-[(propan-2-ylamino)methyl]phenyl]pyrazol-4-amine;N-[(2-pyrazol-1-ylphenyl)methyl]propan-2-amine;N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine;N-[[2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine
CID 165053907
3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole
CID 167645701
1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;5-tert-butyl-1,2-difluoro-3-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)imidazole;1-[(3-tert-butylphenyl)methyl]piperidine;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 167694627
4-Tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-4-(1,1-difluoroethoxy)benzene;5-tert-butyl-1,2-difluoro-3-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;2-(3-tert-butyl-2-methylphenyl)but-3-en-1-imine;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;2-(3-tert-butyl-2-methylphenyl)triazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole
CID 167700192

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(1-(3-tert-butyl-2-methylphenyl)imidazole);2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole?
The IUPAC name of 1-tert-butyl-4-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(1-(3-tert-butyl-2-methylphenyl)imidazole);2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole (CID 158810310) is 1-tert-butyl-4-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(1-(3-tert-butyl-2-methylphenyl)imidazole);2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-tert-butyl-4-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(1-(3-tert-butyl-2-methylphenyl)imidazole);2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole?
The canonical SMILES for 1-tert-butyl-4-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(1-(3-tert-butyl-2-methylphenyl)imidazole);2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole is CC(C)(C)c1cccc(-c2ncco2)c1.CC(C)(C)c1cccc(-n2cccn2)c1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)(C)c1cccc(-n2cncn2)c1.CC(C)(C)c1cccc2ccccc12.CC(F)(F)Oc1ccc(C(C)(C)C)cc1.COc1cccc(C(C)(C)C)c1.Cc1c(-c2ncco2)cccc1C(C)(C)C.Cc1c(-n2cccn2)cccc1C(C)(C)C.Cc1c(-n2ccnc2)cccc1C(C)(C)C.Cc1c(-n2ccnc2)cccc1C(C)(C)C.Cc1c(-n2ccnn2)cccc1C(C)(C)C.Cc1c(-n2ccnn2)cccc1C(C)(C)C.Cc1c(-n2nccn2)cccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(1-(3-tert-butyl-2-methylphenyl)imidazole);2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole?
The InChIKey is IUPFVHPNISNZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H18N2.C14H17NO.C14H16.3C13H17N3.2C13H16N2.C13H15NO.C12H16F2O.C12H15N3.C11H16O.C11H16/c1-11-12(14(2,3)4)7-5-8-13(11)16-10-6-9-15-16;2*1-11-12(14(2,3)4)6-5-7-13(11)16-9-8-15-10-16;1-10-11(13-15-8-9-16-13)6-5-7-12(10)14(2,3)4;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;2*1-10-11(13(2,3)4)6-5-7-12(10)16-9-8-14-15-16;1-10-11(13(2,3)4)6-5-7-12(10)16-14-8-9-15-16;1-13(2,3)11-6-4-7-12(10-11)15-9-5-8-14-15;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-13(2,3)11-6-4-5-10(9-11)12-14-7-8-15-12;1-11(2,3)9-5-7-10(8-6-9)15-12(4,13)14;1-12(2,3)10-5-4-6-11(7-10)15-9-13-8-14-15;1-11(2,3)9-6-5-7-10(8-9)12-4;1-9-5-7-10(8-6-9)11(2,3)4/h3*5-10H,1-4H3;5-9H,1-4H3;4-10H,1-3H3;3*5-9H,1-4H3;2*4-10H,1-3H3;4-9H,1-3H3;5-8H,1-4H3;4-9H,1-3H3;5-8H,1-4H3;5-8H,1-4H3.
What are the key properties of 1-tert-butyl-4-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(1-(3-tert-butyl-2-methylphenyl)imidazole);2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole?
1-tert-butyl-4-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(1-(3-tert-butyl-2-methylphenyl)imidazole);2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole has a molecular weight of 3018.28 g/mol, XLogP of 49.94, 14 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(1-(3-tert-butyl-2-methylphenyl)imidazole);2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole is sourced from PubChem (CID 158810310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).