bis(benzyl 2,2-dimethylpropanoate);tert-butylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;bis(2-tert-butyl-3-chloro-5-methylpyridine);4-tert-butyl-3-chloropyridine;4-tert-butyl-3,5-dichloropyridine;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;bis(tert-butyl 2,2-dimethylpropanoate);1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-(4-tert-butylphenyl)ethanone;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;[(E)-4,4-dimethylpent-1-enyl]benzene;methane

C253H416Cl6F8N8O10 — CID 163992889

IUPACbis(benzyl 2,2-dimethylpropanoate);tert-butylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;bis(2-tert-butyl-3-chloro-5-methylpyridine);4-tert-butyl-3-chloropyridine;4-tert-butyl-3,5-dichloropyridine;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;bis(tert-butyl 2,2-dimethylpropanoate);1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-(4-tert-butylphenyl)ethanone;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;[(E)-4,4-dimethylpent-1-enyl]benzene;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)c1ccc(C(C)(C)C)cc1.CC(C)(C)C(=O)OCc1ccccc1.CC(C)(C)C(=O)OCc1ccccc1.CC(C)(C)C/C=C/c1ccccc1.CC(C)(C)OC(=O)C(C)(C)C.CC(C)(C)OC(=O)C(C)(C)C.CC(C)(C)c1c(Cl)cncc1Cl.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1Cl.CC(C)(C)c1ncccc1C(F)(F)F.COc1ccccc1C(C)(C)C.Cc1ccc(C)c(C(C)(C)C)c1.Cc1ccc(Cl)cc1C(C)(C)C.Cc1cccc(C(C)(C)C)c1C.Cc1cccc(C)c1C(C)(C)C.Cc1cnc(C(C)(C)C)c(Cl)c1.Cc1cnc(C(C)(C)C)c(Cl)c1
InChIInChI=1S/C13H18.2C12H16O2.C12H16O.3C12H18.C11H15Cl.C11H16O.2C10H14ClN.2C10H12F3N.2C10H13F.C10H14.C9H11Cl2N.C9H12ClN.2C9H13N.2C9H18O2.22CH4/c1-13(2,3)11-7-10-12-8-5-4-6-9-12;2*1-12(2,3)11(13)14-9-10-7-5-4-6-8-10;1-9(13)10-5-7-11(8-6-10)12(2,3)4;1-9-6-7-10(2)11(8-9)12(3,4)5;1-9-7-6-8-11(10(9)2)12(3,4)5;1-9-7-6-8-10(2)11(9)12(3,4)5;1-8-5-6-9(12)7-10(8)11(2,3)4;1-11(2,3)9-7-5-6-8-10(9)12-4;2*1-7-5-8(11)9(12-6-7)10(2,3)4;1-9(2,3)8-7(10(11,12)13)5-4-6-14-8;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6(10)4-12-5-7(8)11;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8;2*1-8(2,3)7(10)11-9(4,5)6;;;;;;;;;;;;;;;;;;;;;;/h4-10H,11H2,1-3H3;2*4-8H,9H2,1-3H3;5-8H,1-4H3;3*6-8H,1-5H3;5-7H,1-4H3;5-8H,1-4H3;2*5-6H,1-4H3;2*4-6H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;2*1-6H3;22*1H4/b10-7+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyUCEYTRDOTPAMQV-YNCJSJQGSA-N
MW4094.86 g/mol
LogP83.54
Rot. Bonds8

About bis(benzyl 2,2-dimethylpropanoate);tert-butylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;bis(2-tert-butyl-3-chloro-5-methylpyridine);4-tert-butyl-3-chloropyridine;4-tert-butyl-3,5-dichloropyridine;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;bis(tert-butyl 2,2-dimethylpropanoate);1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-(4-tert-butylphenyl)ethanone;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;[(E)-4,4-dimethylpent-1-enyl]benzene;methane

bis(benzyl 2,2-dimethylpropanoate);tert-butylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;bis(2-tert-butyl-3-chloro-5-methylpyridine);4-tert-butyl-3-chloropyridine;4-tert-butyl-3,5-dichloropyridine;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;bis(tert-butyl 2,2-dimethylpropanoate);1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-(4-tert-butylphenyl)ethanone;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;[(E)-4,4-dimethylpent-1-enyl]benzene;methane (PubChem CID 163992889) has the molecular formula C253H416Cl6F8N8O10 and a molecular weight of 4094.86 g/mol. Its IUPAC name is bis(benzyl 2,2-dimethylpropanoate);tert-butylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;bis(2-tert-butyl-3-chloro-5-methylpyridine);4-tert-butyl-3-chloropyridine;4-tert-butyl-3,5-dichloropyridine;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;bis(tert-butyl 2,2-dimethylpropanoate);1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-(4-tert-butylphenyl)ethanone;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;[(E)-4,4-dimethylpent-1-enyl]benzene;methane.

Molecular Properties

Compound Namebis(benzyl 2,2-dimethylpropanoate);tert-butylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;bis(2-tert-butyl-3-chloro-5-methylpyridine);4-tert-butyl-3-chloropyridine;4-tert-butyl-3,5-dichloropyridine;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;bis(tert-butyl 2,2-dimethylpropanoate);1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-(4-tert-butylphenyl)ethanone;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;[(E)-4,4-dimethylpent-1-enyl]benzene;methane
PubChem CID163992889
Molecular FormulaC253H416Cl6F8N8O10
Molecular Weight4094.86 g/mol
Exact Mass4089.03
IUPAC Namebis(benzyl 2,2-dimethylpropanoate);tert-butylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;bis(2-tert-butyl-3-chloro-5-methylpyridine);4-tert-butyl-3-chloropyridine;4-tert-butyl-3,5-dichloropyridine;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;bis(tert-butyl 2,2-dimethylpropanoate);1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-(4-tert-butylphenyl)ethanone;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;[(E)-4,4-dimethylpent-1-enyl]benzene;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)c1ccc(C(C)(C)C)cc1.CC(C)(C)C(=O)OCc1ccccc1.CC(C)(C)C(=O)OCc1ccccc1.CC(C)(C)C/C=C/c1ccccc1.CC(C)(C)OC(=O)C(C)(C)C.CC(C)(C)OC(=O)C(C)(C)C.CC(C)(C)c1c(Cl)cncc1Cl.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1Cl.CC(C)(C)c1ncccc1C(F)(F)F.COc1ccccc1C(C)(C)C.Cc1ccc(C)c(C(C)(C)C)c1.Cc1ccc(Cl)cc1C(C)(C)C.Cc1cccc(C(C)(C)C)c1C.Cc1cccc(C)c1C(C)(C)C.Cc1cnc(C(C)(C)C)c(Cl)c1.Cc1cnc(C(C)(C)C)c(Cl)c1
InChIInChI=1S/C13H18.2C12H16O2.C12H16O.3C12H18.C11H15Cl.C11H16O.2C10H14ClN.2C10H12F3N.2C10H13F.C10H14.C9H11Cl2N.C9H12ClN.2C9H13N.2C9H18O2.22CH4/c1-13(2,3)11-7-10-12-8-5-4-6-9-12;2*1-12(2,3)11(13)14-9-10-7-5-4-6-8-10;1-9(13)10-5-7-11(8-6-10)12(2,3)4;1-9-6-7-10(2)11(8-9)12(3,4)5;1-9-7-6-8-11(10(9)2)12(3,4)5;1-9-7-6-8-10(2)11(9)12(3,4)5;1-8-5-6-9(12)7-10(8)11(2,3)4;1-11(2,3)9-7-5-6-8-10(9)12-4;2*1-7-5-8(11)9(12-6-7)10(2,3)4;1-9(2,3)8-7(10(11,12)13)5-4-6-14-8;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6(10)4-12-5-7(8)11;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8;2*1-8(2,3)7(10)11-9(4,5)6;;;;;;;;;;;;;;;;;;;;;;/h4-10H,11H2,1-3H3;2*4-8H,9H2,1-3H3;5-8H,1-4H3;3*6-8H,1-5H3;5-7H,1-4H3;5-8H,1-4H3;2*5-6H,1-4H3;2*4-6H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;2*1-6H3;22*1H4/b10-7+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyUCEYTRDOTPAMQV-YNCJSJQGSA-N
XLogP83.54
TPSA234.62 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms285
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004094.86
LogP ≤ 583.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze bis(benzyl 2,2-dimethylpropanoate);tert-butylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;bis(2-tert-butyl-3-chloro-5-methylpyridine);4-tert-butyl-3-chloropyridine;4-tert-butyl-3,5-dichloropyridine;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;bis(tert-butyl 2,2-dimethylpropanoate);1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-(4-tert-butylphenyl)ethanone;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;[(E)-4,4-dimethylpent-1-enyl]benzene;methane with MolForge

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Related Compounds

tert-butyl 2-[3-[(1S)-1-(5-chloro-2-pyridinyl)-1-[[3-(1,1-difluoroethyl)-4-fluorobenzoyl]amino]-2-phenylethyl]-5-fluorophenoxy]acetate;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-(difluoromethoxy)-5-fluorophenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-(3-ethoxy-5-fluorophenyl)-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide
CID 123175383
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123665839
(3S)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[1-(5-chloro-2-pyridinyl)-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-3-[3-(2,2-difluoropropoxy)-5-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one
CID 157165887
3-[2-[7-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 157187986
N-[(1R)-2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-(3-cyanophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane;4-methyl-N-[2-phenyl-1,1-bis[6-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide
CID 157268991
1-Chloro-2,4-dimethylbenzene;2-chloro-1-(2-fluorophenyl)-4-methylbenzene;2-chloro-4-methyl-1-phenylbenzene;1-(2-chlorophenyl)-2-fluoro-4-methylbenzene;2-(2-chlorophenyl)-5-methylbenzonitrile;2,4-difluoro-1-(2-fluoro-4-methylphenyl)benzene;2,4-dimethylpyridine;ethyl 2-methylbenzoate;bis(2-fluoro-1,3-dimethylbenzene);2-fluoro-1-(2-fluorophenyl)-4-methylbenzene;2-fluoro-1-methoxy-3-methylbenzene;2-fluoro-1-methoxy-4-methylbenzene;1-(2-fluoro-4-methylphenyl)ethanone;methane;methyl 2-methyl-5-phenylbenzoate;1-methyl-4-phenylbenzene;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-methyl-3-(trifluoromethoxy)benzene
CID 157416535
1-Chloro-2,3-di(propan-2-yl)benzene;6-chloro-2,3-di(propan-2-yl)pyridine;6-cyclopropyl-2,3-di(propan-2-yl)pyridine;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene
CID 157423821
(1-tert-butylazetidin-3-yl) 4-tert-butyl-3-methylbenzoate;(5-chloro-3-pyridinyl) 4-tert-butyl-3-methylbenzoate;(6-chloro-3-pyridinyl) 4-tert-butyl-3-methylbenzoate;2-(4,4-difluoropiperidin-1-yl)ethyl 4-tert-butyl-3-methylbenzoate;2-(3,3-difluoropyrrolidin-1-yl)ethyl 4-tert-butyl-3-methylbenzoate;(2-fluoro-3-pyridinyl) 4-tert-butyl-3-methylbenzoate;(6-fluoro-3-pyridinyl) 4-tert-butyl-3-methylbenzoate;2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl 4-tert-butylbenzoate;(5-methyl-3-pyridinyl) 4-tert-butyl-3-methylbenzoate;(6-methyl-3-pyridinyl) 4-tert-butyl-3-methylbenzoate;pyridin-3-yl 4-tert-butyl-3-methylbenzoate;pyridin-4-yl 4-tert-butyl-3-methylbenzoate
CID 157606029
(3R)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-4-(4-hydroxyphenyl)butan-1-one;(3S)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-4-(4-hydroxyphenyl)butan-1-one;4-[4-[(2R)-2-(5-chloro-2-pyridinyl)-4-[3-(1,1-difluoroethyl)-4-fluorophenyl]-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-4-oxobutyl]phenoxy]butanoic acid;methyl 4-[4-[(2S)-2-(5-chloro-2-pyridinyl)-4-[3-(1,1-difluoroethyl)-4-fluorophenyl]-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-4-oxobutyl]phenoxy]butanoate
CID 157731518
2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1-cyclohexyl-2-methylpropan-1-one;1-cyclopropyl-2-methylpropan-1-one;1,3-dichloro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-yloxybenzene;methane;2-methyl-1-phenylpropan-1-one;N-methyl-N-propan-2-ylaniline;1-methyl-2-propan-2-ylbenzene;2-methylpropylbenzene;3-(2-methylpropyl)pyridine;propan-2-ylcyclopentane;propan-2-yloxybenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 157814443
1-(4-Acetylphenyl)-3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-(2-methylcyclopropyl)butan-2-one;4-(1-bicyclo[1.1.1]pentanyl)-3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-(3,3-difluorocyclobutyl)-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-1-[4-(1-hydroxyethenyl)phenyl]-4-(2-methylcyclopropyl)butan-2-one;3-[5-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-oxidopyridin-1-ium-2-yl]-1-[4-(1-hydroxyethenyl)phenyl]-4-(2-methylcyclopropyl)butan-2-one
CID 157908749
1-(4-Acetylphenyl)-3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-(4-hydroxycyclohexyl)butan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-(4,4-difluorocyclohexyl)-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-(4-hydroxycyclohexyl)-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-1-[4-(1-hydroxyethenyl)phenyl]-4-(4-hydroxy-4-methylcyclohexyl)butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-1-[4-(1-hydroxyethenyl)phenyl]-4-(4-hydroxy-4-methylcyclohexyl)butan-2-one
CID 158197319

Frequently Asked Questions

What is the IUPAC name of bis(benzyl 2,2-dimethylpropanoate);tert-butylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;bis(2-tert-butyl-3-chloro-5-methylpyridine);4-tert-butyl-3-chloropyridine;4-tert-butyl-3,5-dichloropyridine;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;bis(tert-butyl 2,2-dimethylpropanoate);1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-(4-tert-butylphenyl)ethanone;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;[(E)-4,4-dimethylpent-1-enyl]benzene;methane?
The IUPAC name of bis(benzyl 2,2-dimethylpropanoate);tert-butylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;bis(2-tert-butyl-3-chloro-5-methylpyridine);4-tert-butyl-3-chloropyridine;4-tert-butyl-3,5-dichloropyridine;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;bis(tert-butyl 2,2-dimethylpropanoate);1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-(4-tert-butylphenyl)ethanone;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;[(E)-4,4-dimethylpent-1-enyl]benzene;methane (CID 163992889) is bis(benzyl 2,2-dimethylpropanoate);tert-butylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;bis(2-tert-butyl-3-chloro-5-methylpyridine);4-tert-butyl-3-chloropyridine;4-tert-butyl-3,5-dichloropyridine;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;bis(tert-butyl 2,2-dimethylpropanoate);1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-(4-tert-butylphenyl)ethanone;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;[(E)-4,4-dimethylpent-1-enyl]benzene;methane.
What is the SMILES notation for bis(benzyl 2,2-dimethylpropanoate);tert-butylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;bis(2-tert-butyl-3-chloro-5-methylpyridine);4-tert-butyl-3-chloropyridine;4-tert-butyl-3,5-dichloropyridine;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;bis(tert-butyl 2,2-dimethylpropanoate);1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-(4-tert-butylphenyl)ethanone;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;[(E)-4,4-dimethylpent-1-enyl]benzene;methane?
The canonical SMILES for bis(benzyl 2,2-dimethylpropanoate);tert-butylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;bis(2-tert-butyl-3-chloro-5-methylpyridine);4-tert-butyl-3-chloropyridine;4-tert-butyl-3,5-dichloropyridine;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;bis(tert-butyl 2,2-dimethylpropanoate);1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-(4-tert-butylphenyl)ethanone;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;[(E)-4,4-dimethylpent-1-enyl]benzene;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)c1ccc(C(C)(C)C)cc1.CC(C)(C)C(=O)OCc1ccccc1.CC(C)(C)C(=O)OCc1ccccc1.CC(C)(C)C/C=C/c1ccccc1.CC(C)(C)OC(=O)C(C)(C)C.CC(C)(C)OC(=O)C(C)(C)C.CC(C)(C)c1c(Cl)cncc1Cl.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1Cl.CC(C)(C)c1ncccc1C(F)(F)F.COc1ccccc1C(C)(C)C.Cc1ccc(C)c(C(C)(C)C)c1.Cc1ccc(Cl)cc1C(C)(C)C.Cc1cccc(C(C)(C)C)c1C.Cc1cccc(C)c1C(C)(C)C.Cc1cnc(C(C)(C)C)c(Cl)c1.Cc1cnc(C(C)(C)C)c(Cl)c1.
What is the InChIKey of bis(benzyl 2,2-dimethylpropanoate);tert-butylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;bis(2-tert-butyl-3-chloro-5-methylpyridine);4-tert-butyl-3-chloropyridine;4-tert-butyl-3,5-dichloropyridine;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;bis(tert-butyl 2,2-dimethylpropanoate);1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-(4-tert-butylphenyl)ethanone;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;[(E)-4,4-dimethylpent-1-enyl]benzene;methane?
The InChIKey is UCEYTRDOTPAMQV-YNCJSJQGSA-N. The full InChI is InChI=1S/C13H18.2C12H16O2.C12H16O.3C12H18.C11H15Cl.C11H16O.2C10H14ClN.2C10H12F3N.2C10H13F.C10H14.C9H11Cl2N.C9H12ClN.2C9H13N.2C9H18O2.22CH4/c1-13(2,3)11-7-10-12-8-5-4-6-9-12;2*1-12(2,3)11(13)14-9-10-7-5-4-6-8-10;1-9(13)10-5-7-11(8-6-10)12(2,3)4;1-9-6-7-10(2)11(8-9)12(3,4)5;1-9-7-6-8-11(10(9)2)12(3,4)5;1-9-7-6-8-10(2)11(9)12(3,4)5;1-8-5-6-9(12)7-10(8)11(2,3)4;1-11(2,3)9-7-5-6-8-10(9)12-4;2*1-7-5-8(11)9(12-6-7)10(2,3)4;1-9(2,3)8-7(10(11,12)13)5-4-6-14-8;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6(10)4-12-5-7(8)11;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8;2*1-8(2,3)7(10)11-9(4,5)6;;;;;;;;;;;;;;;;;;;;;;/h4-10H,11H2,1-3H3;2*4-8H,9H2,1-3H3;5-8H,1-4H3;3*6-8H,1-5H3;5-7H,1-4H3;5-8H,1-4H3;2*5-6H,1-4H3;2*4-6H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;2*1-6H3;22*1H4/b10-7+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of bis(benzyl 2,2-dimethylpropanoate);tert-butylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;bis(2-tert-butyl-3-chloro-5-methylpyridine);4-tert-butyl-3-chloropyridine;4-tert-butyl-3,5-dichloropyridine;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;bis(tert-butyl 2,2-dimethylpropanoate);1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-(4-tert-butylphenyl)ethanone;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;[(E)-4,4-dimethylpent-1-enyl]benzene;methane?
bis(benzyl 2,2-dimethylpropanoate);tert-butylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;bis(2-tert-butyl-3-chloro-5-methylpyridine);4-tert-butyl-3-chloropyridine;4-tert-butyl-3,5-dichloropyridine;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;bis(tert-butyl 2,2-dimethylpropanoate);1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-(4-tert-butylphenyl)ethanone;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;[(E)-4,4-dimethylpent-1-enyl]benzene;methane has a molecular weight of 4094.86 g/mol, XLogP of 83.54, 8 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzyl 2,2-dimethylpropanoate);tert-butylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;bis(2-tert-butyl-3-chloro-5-methylpyridine);4-tert-butyl-3-chloropyridine;4-tert-butyl-3,5-dichloropyridine;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;bis(tert-butyl 2,2-dimethylpropanoate);1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-(4-tert-butylphenyl)ethanone;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;[(E)-4,4-dimethylpent-1-enyl]benzene;methane is sourced from PubChem (CID 163992889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).