1-chloro-2,3,4-tri(propan-2-yl)benzene;1-fluoro-2-methyl-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;6-fluoro-2,3,4-tri(propan-2-yl)benzonitrile;methane;1-methoxy-2,3,4-tri(propan-2-yl)benzene;2-methoxy-3,4,5-tri(propan-2-yl)pyridine;1-methyl-2,3,4-tri(propan-2-yl)benzene;2-methyl-3,4,5-tri(propan-2-yl)pyridine;1,2,3-tri(propan-2-yl)benzene;2,3,4-tri(propan-2-yl)benzonitrile;1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene;1,2,3-tri(propan-2-yl)-4-(trifluoromethyl)benzene

C200H340ClF9N4O3 — CID 158977667

IUPAC1-chloro-2,3,4-tri(propan-2-yl)benzene;1-fluoro-2-methyl-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;6-fluoro-2,3,4-tri(propan-2-yl)benzonitrile;methane;1-methoxy-2,3,4-tri(propan-2-yl)benzene;2-methoxy-3,4,5-tri(propan-2-yl)pyridine;1-methyl-2,3,4-tri(propan-2-yl)benzene;2-methyl-3,4,5-tri(propan-2-yl)pyridine;1,2,3-tri(propan-2-yl)benzene;2,3,4-tri(propan-2-yl)benzonitrile;1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene;1,2,3-tri(propan-2-yl)-4-(trifluoromethyl)benzene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1cc(F)c(C#N)c(C(C)C)c1C(C)C.CC(C)c1ccc(C#N)c(C(C)C)c1C(C)C.CC(C)c1ccc(C(F)(F)F)c(C(C)C)c1C(C)C.CC(C)c1ccc(Cl)c(C(C)C)c1C(C)C.CC(C)c1ccc(F)c(C(C)C)c1C(C)C.CC(C)c1ccc(OC(F)(F)F)c(C(C)C)c1C(C)C.CC(C)c1cccc(C(C)C)c1C(C)C.COc1ccc(C(C)C)c(C(C)C)c1C(C)C.COc1ncc(C(C)C)c(C(C)C)c1C(C)C.Cc1c(F)cc(C(C)C)c(C(C)C)c1C(C)C.Cc1ccc(C(C)C)c(C(C)C)c1C(C)C.Cc1ncc(C(C)C)c(C(C)C)c1C(C)C
InChIInChI=1S/C16H23F3O.C16H23F3.C16H22FN.C16H25F.C16H23N.C16H26O.C16H26.C15H23Cl.C15H23F.C15H25NO.C15H25N.C15H24.13CH4/c1-9(2)12-7-8-13(20-16(17,18)19)15(11(5)6)14(12)10(3)4;1-9(2)12-7-8-13(16(17,18)19)15(11(5)6)14(12)10(3)4;1-9(2)12-7-14(17)13(8-18)16(11(5)6)15(12)10(3)4;1-9(2)13-8-14(17)12(7)15(10(3)4)16(13)11(5)6;1-10(2)14-8-7-13(9-17)15(11(3)4)16(14)12(5)6;1-10(2)13-8-9-14(17-7)16(12(5)6)15(13)11(3)4;1-10(2)14-9-8-13(7)15(11(3)4)16(14)12(5)6;2*1-9(2)12-7-8-13(16)15(11(5)6)14(12)10(3)4;1-9(2)12-8-16-15(17-7)14(11(5)6)13(12)10(3)4;1-9(2)13-8-16-12(7)14(10(3)4)15(13)11(5)6;1-10(2)13-8-7-9-14(11(3)4)15(13)12(5)6;;;;;;;;;;;;;/h7-11H,1-6H3;7-11H,1-6H3;7,9-11H,1-6H3;8-11H,1-7H3;7-8,10-12H,1-6H3;8-12H,1-7H3;8-12H,1-7H3;2*7-11H,1-6H3;8-11H,1-7H3;8-11H,1-7H3;7-12H,1-6H3;13*1H4
InChIKeyJOPDVKQYVIDUSM-UHFFFAOYSA-N
MW3055.38 g/mol
LogP71.41
Rot. Bonds39

About 1-chloro-2,3,4-tri(propan-2-yl)benzene;1-fluoro-2-methyl-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;6-fluoro-2,3,4-tri(propan-2-yl)benzonitrile;methane;1-methoxy-2,3,4-tri(propan-2-yl)benzene;2-methoxy-3,4,5-tri(propan-2-yl)pyridine;1-methyl-2,3,4-tri(propan-2-yl)benzene;2-methyl-3,4,5-tri(propan-2-yl)pyridine;1,2,3-tri(propan-2-yl)benzene;2,3,4-tri(propan-2-yl)benzonitrile;1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene;1,2,3-tri(propan-2-yl)-4-(trifluoromethyl)benzene

1-chloro-2,3,4-tri(propan-2-yl)benzene;1-fluoro-2-methyl-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;6-fluoro-2,3,4-tri(propan-2-yl)benzonitrile;methane;1-methoxy-2,3,4-tri(propan-2-yl)benzene;2-methoxy-3,4,5-tri(propan-2-yl)pyridine;1-methyl-2,3,4-tri(propan-2-yl)benzene;2-methyl-3,4,5-tri(propan-2-yl)pyridine;1,2,3-tri(propan-2-yl)benzene;2,3,4-tri(propan-2-yl)benzonitrile;1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene;1,2,3-tri(propan-2-yl)-4-(trifluoromethyl)benzene (PubChem CID 158977667) has the molecular formula C200H340ClF9N4O3 and a molecular weight of 3055.38 g/mol. Its IUPAC name is 1-chloro-2,3,4-tri(propan-2-yl)benzene;1-fluoro-2-methyl-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;6-fluoro-2,3,4-tri(propan-2-yl)benzonitrile;methane;1-methoxy-2,3,4-tri(propan-2-yl)benzene;2-methoxy-3,4,5-tri(propan-2-yl)pyridine;1-methyl-2,3,4-tri(propan-2-yl)benzene;2-methyl-3,4,5-tri(propan-2-yl)pyridine;1,2,3-tri(propan-2-yl)benzene;2,3,4-tri(propan-2-yl)benzonitrile;1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene;1,2,3-tri(propan-2-yl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2,3,4-tri(propan-2-yl)benzene;1-fluoro-2-methyl-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;6-fluoro-2,3,4-tri(propan-2-yl)benzonitrile;methane;1-methoxy-2,3,4-tri(propan-2-yl)benzene;2-methoxy-3,4,5-tri(propan-2-yl)pyridine;1-methyl-2,3,4-tri(propan-2-yl)benzene;2-methyl-3,4,5-tri(propan-2-yl)pyridine;1,2,3-tri(propan-2-yl)benzene;2,3,4-tri(propan-2-yl)benzonitrile;1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene;1,2,3-tri(propan-2-yl)-4-(trifluoromethyl)benzene
PubChem CID158977667
Molecular FormulaC200H340ClF9N4O3
Molecular Weight3055.38 g/mol
Exact Mass3052.61
IUPAC Name1-chloro-2,3,4-tri(propan-2-yl)benzene;1-fluoro-2-methyl-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;6-fluoro-2,3,4-tri(propan-2-yl)benzonitrile;methane;1-methoxy-2,3,4-tri(propan-2-yl)benzene;2-methoxy-3,4,5-tri(propan-2-yl)pyridine;1-methyl-2,3,4-tri(propan-2-yl)benzene;2-methyl-3,4,5-tri(propan-2-yl)pyridine;1,2,3-tri(propan-2-yl)benzene;2,3,4-tri(propan-2-yl)benzonitrile;1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene;1,2,3-tri(propan-2-yl)-4-(trifluoromethyl)benzene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1cc(F)c(C#N)c(C(C)C)c1C(C)C.CC(C)c1ccc(C#N)c(C(C)C)c1C(C)C.CC(C)c1ccc(C(F)(F)F)c(C(C)C)c1C(C)C.CC(C)c1ccc(Cl)c(C(C)C)c1C(C)C.CC(C)c1ccc(F)c(C(C)C)c1C(C)C.CC(C)c1ccc(OC(F)(F)F)c(C(C)C)c1C(C)C.CC(C)c1cccc(C(C)C)c1C(C)C.COc1ccc(C(C)C)c(C(C)C)c1C(C)C.COc1ncc(C(C)C)c(C(C)C)c1C(C)C.Cc1c(F)cc(C(C)C)c(C(C)C)c1C(C)C.Cc1ccc(C(C)C)c(C(C)C)c1C(C)C.Cc1ncc(C(C)C)c(C(C)C)c1C(C)C
InChIInChI=1S/C16H23F3O.C16H23F3.C16H22FN.C16H25F.C16H23N.C16H26O.C16H26.C15H23Cl.C15H23F.C15H25NO.C15H25N.C15H24.13CH4/c1-9(2)12-7-8-13(20-16(17,18)19)15(11(5)6)14(12)10(3)4;1-9(2)12-7-8-13(16(17,18)19)15(11(5)6)14(12)10(3)4;1-9(2)12-7-14(17)13(8-18)16(11(5)6)15(12)10(3)4;1-9(2)13-8-14(17)12(7)15(10(3)4)16(13)11(5)6;1-10(2)14-8-7-13(9-17)15(11(3)4)16(14)12(5)6;1-10(2)13-8-9-14(17-7)16(12(5)6)15(13)11(3)4;1-10(2)14-9-8-13(7)15(11(3)4)16(14)12(5)6;2*1-9(2)12-7-8-13(16)15(11(5)6)14(12)10(3)4;1-9(2)12-8-16-15(17-7)14(11(5)6)13(12)10(3)4;1-9(2)13-8-16-12(7)14(10(3)4)15(13)11(5)6;1-10(2)13-8-7-9-14(11(3)4)15(13)12(5)6;;;;;;;;;;;;;/h7-11H,1-6H3;7-11H,1-6H3;7,9-11H,1-6H3;8-11H,1-7H3;7-8,10-12H,1-6H3;8-12H,1-7H3;8-12H,1-7H3;2*7-11H,1-6H3;8-11H,1-7H3;8-11H,1-7H3;7-12H,1-6H3;13*1H4
InChIKeyJOPDVKQYVIDUSM-UHFFFAOYSA-N
XLogP71.41
TPSA101.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds39
Heavy Atoms217
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003055.38
LogP ≤ 571.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-chloro-2,3,4-tri(propan-2-yl)benzene;1-fluoro-2-methyl-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;6-fluoro-2,3,4-tri(propan-2-yl)benzonitrile;methane;1-methoxy-2,3,4-tri(propan-2-yl)benzene;2-methoxy-3,4,5-tri(propan-2-yl)pyridine;1-methyl-2,3,4-tri(propan-2-yl)benzene;2-methyl-3,4,5-tri(propan-2-yl)pyridine;1,2,3-tri(propan-2-yl)benzene;2,3,4-tri(propan-2-yl)benzonitrile;1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene;1,2,3-tri(propan-2-yl)-4-(trifluoromethyl)benzene with MolForge

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Related Compounds

N-[[4-[3-chloro-4-[2-chloro-3-[5-[[(4,4-difluorocyclohexyl)amino]methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-4,4-difluorocyclohexan-1-amine
CID 170696583
5-[2-[4-Chloro-5-[[2-methyl-3-[2-methyl-3-[4-[3-(trifluoromethyl)piperidin-1-yl]butyl]phenyl]phenyl]methoxy]-2-(piperidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carbonitrile
CID 129049761
5-[[4-Chloro-2-(methylaminomethyl)-5-[2-[2-methyl-3-[2-methyl-3-[4-(methylaminomethyl)phenyl]phenyl]phenyl]ethyl]phenoxy]methyl]pyridine-3-carbonitrile;1,1,1-trifluoroethane
CID 142460053
2-[(E)-2-[2-chloro-5-methoxy-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-4-(2,6-difluorophenyl)pyridine-3-carbonitrile
CID 156192463
1-Chloro-2-fluoro-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-2,4-dimethylbenzene;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,2-dimethylbenzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene;1,2,3-trifluoro-4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene
CID 157089441
1-Chloro-4-fluoro-2-methyl-5-propan-2-ylbenzene;2-chloro-3-fluoro-1-methyl-4-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;3-chloro-2-methyl-5-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene);2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157098408
1-chloro-3-(3,3-dimethylbutan-2-yl)benzene;1-chloro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1,2-dichloro-4-(2,2-dimethylpropyl)benzene;1,3-dichloro-5-[(1S)-1-phenylethyl]benzene;1,3-dichloro-5-[(1R)-1-phenylethyl]benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;2-(2,2-dimethylpropyl)benzonitrile;1-fluoro-4-[(1R)-2-methyl-1-phenylpropyl]benzene;1-fluoro-4-[(1S)-1-phenylethyl]benzene;3-methylbutan-2-ylbenzene;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;propane
CID 157116956
1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;1-fluoro-3-methylbenzene;methane;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylphenol;4-methylphenol;3-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;toluene;N,N,4-trimethylaniline;1,2-xylene;1,3-xylene;1,4-xylene
CID 157218310
1-Chloro-2,4-dimethylbenzene;1-(1,1-difluoroethyl)-4-methylbenzene;1,2-difluoro-3-methylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-2-methyl-4-(trifluoromethoxy)benzene;2-methylpyridine;3-methylpyridine;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,4-xylene
CID 157262153
5-Tert-butyl-2-(trifluoromethyl)pyridine;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2-dichloro-4-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzonitrile;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-nitro-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene
CID 157336322
5-Tert-butyl-2-(trifluoromethyl)pyridine;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2-dichloro-4-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzonitrile;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;2-methoxy-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-nitro-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene
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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

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3,4-tri(propan-2-yl)benzene;1-fluoro-2-methyl-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;6-fluoro-2,3,4-tri(propan-2-yl)benzonitrile;methane;1-methoxy-2,3,4-tri(propan-2-yl)benzene;2-methoxy-3,4,5-tri(propan-2-yl)pyridine;1-methyl-2,3,4-tri(propan-2-yl)benzene;2-methyl-3,4,5-tri(propan-2-yl)pyridine;1,2,3-tri(propan-2-yl)benzene;2,3,4-tri(propan-2-yl)benzonitrile;1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene;1,2,3-tri(propan-2-yl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2,3,4-tri(propan-2-yl)benzene;1-fluoro-2-methyl-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;6-fluoro-2,3,4-tri(propan-2-yl)benzonitrile;methane;1-methoxy-2,3,4-tri(propan-2-yl)benzene;2-methoxy-3,4,5-tri(propan-2-yl)pyridine;1-methyl-2,3,4-tri(propan-2-yl)benzene;2-methyl-3,4,5-tri(propan-2-yl)pyridine;1,2,3-tri(propan-2-yl)benzene;2,3,4-tri(propan-2-yl)benzonitrile;1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene;1,2,3-tri(propan-2-yl)-4-(trifluoromethyl)benzene (CID 158977667) is 1-chloro-2,3,4-tri(propan-2-yl)benzene;1-fluoro-2-methyl-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;6-fluoro-2,3,4-tri(propan-2-yl)benzonitrile;methane;1-methoxy-2,3,4-tri(propan-2-yl)benzene;2-methoxy-3,4,5-tri(propan-2-yl)pyridine;1-methyl-2,3,4-tri(propan-2-yl)benzene;2-methyl-3,4,5-tri(propan-2-yl)pyridine;1,2,3-tri(propan-2-yl)benzene;2,3,4-tri(propan-2-yl)benzonitrile;1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene;1,2,3-tri(propan-2-yl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2,3,4-tri(propan-2-yl)benzene;1-fluoro-2-methyl-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;6-fluoro-2,3,4-tri(propan-2-yl)benzonitrile;methane;1-methoxy-2,3,4-tri(propan-2-yl)benzene;2-methoxy-3,4,5-tri(propan-2-yl)pyridine;1-methyl-2,3,4-tri(propan-2-yl)benzene;2-methyl-3,4,5-tri(propan-2-yl)pyridine;1,2,3-tri(propan-2-yl)benzene;2,3,4-tri(propan-2-yl)benzonitrile;1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene;1,2,3-tri(propan-2-yl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2,3,4-tri(propan-2-yl)benzene;1-fluoro-2-methyl-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;6-fluoro-2,3,4-tri(propan-2-yl)benzonitrile;methane;1-methoxy-2,3,4-tri(propan-2-yl)benzene;2-methoxy-3,4,5-tri(propan-2-yl)pyridine;1-methyl-2,3,4-tri(propan-2-yl)benzene;2-methyl-3,4,5-tri(propan-2-yl)pyridine;1,2,3-tri(propan-2-yl)benzene;2,3,4-tri(propan-2-yl)benzonitrile;1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene;1,2,3-tri(propan-2-yl)-4-(trifluoromethyl)benzene is C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1cc(F)c(C#N)c(C(C)C)c1C(C)C.CC(C)c1ccc(C#N)c(C(C)C)c1C(C)C.CC(C)c1ccc(C(F)(F)F)c(C(C)C)c1C(C)C.CC(C)c1ccc(Cl)c(C(C)C)c1C(C)C.CC(C)c1ccc(F)c(C(C)C)c1C(C)C.CC(C)c1ccc(OC(F)(F)F)c(C(C)C)c1C(C)C.CC(C)c1cccc(C(C)C)c1C(C)C.COc1ccc(C(C)C)c(C(C)C)c1C(C)C.COc1ncc(C(C)C)c(C(C)C)c1C(C)C.Cc1c(F)cc(C(C)C)c(C(C)C)c1C(C)C.Cc1ccc(C(C)C)c(C(C)C)c1C(C)C.Cc1ncc(C(C)C)c(C(C)C)c1C(C)C.
What is the InChIKey of 1-chloro-2,3,4-tri(propan-2-yl)benzene;1-fluoro-2-methyl-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;6-fluoro-2,3,4-tri(propan-2-yl)benzonitrile;methane;1-methoxy-2,3,4-tri(propan-2-yl)benzene;2-methoxy-3,4,5-tri(propan-2-yl)pyridine;1-methyl-2,3,4-tri(propan-2-yl)benzene;2-methyl-3,4,5-tri(propan-2-yl)pyridine;1,2,3-tri(propan-2-yl)benzene;2,3,4-tri(propan-2-yl)benzonitrile;1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene;1,2,3-tri(propan-2-yl)-4-(trifluoromethyl)benzene?
The InChIKey is JOPDVKQYVIDUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3O.C16H23F3.C16H22FN.C16H25F.C16H23N.C16H26O.C16H26.C15H23Cl.C15H23F.C15H25NO.C15H25N.C15H24.13CH4/c1-9(2)12-7-8-13(20-16(17,18)19)15(11(5)6)14(12)10(3)4;1-9(2)12-7-8-13(16(17,18)19)15(11(5)6)14(12)10(3)4;1-9(2)12-7-14(17)13(8-18)16(11(5)6)15(12)10(3)4;1-9(2)13-8-14(17)12(7)15(10(3)4)16(13)11(5)6;1-10(2)14-8-7-13(9-17)15(11(3)4)16(14)12(5)6;1-10(2)13-8-9-14(17-7)16(12(5)6)15(13)11(3)4;1-10(2)14-9-8-13(7)15(11(3)4)16(14)12(5)6;2*1-9(2)12-7-8-13(16)15(11(5)6)14(12)10(3)4;1-9(2)12-8-16-15(17-7)14(11(5)6)13(12)10(3)4;1-9(2)13-8-16-12(7)14(10(3)4)15(13)11(5)6;1-10(2)13-8-7-9-14(11(3)4)15(13)12(5)6;;;;;;;;;;;;;/h7-11H,1-6H3;7-11H,1-6H3;7,9-11H,1-6H3;8-11H,1-7H3;7-8,10-12H,1-6H3;8-12H,1-7H3;8-12H,1-7H3;2*7-11H,1-6H3;8-11H,1-7H3;8-11H,1-7H3;7-12H,1-6H3;13*1H4.
What are the key properties of 1-chloro-2,3,4-tri(propan-2-yl)benzene;1-fluoro-2-methyl-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;6-fluoro-2,3,4-tri(propan-2-yl)benzonitrile;methane;1-methoxy-2,3,4-tri(propan-2-yl)benzene;2-methoxy-3,4,5-tri(propan-2-yl)pyridine;1-methyl-2,3,4-tri(propan-2-yl)benzene;2-methyl-3,4,5-tri(propan-2-yl)pyridine;1,2,3-tri(propan-2-yl)benzene;2,3,4-tri(propan-2-yl)benzonitrile;1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene;1,2,3-tri(propan-2-yl)-4-(trifluoromethyl)benzene?
1-chloro-2,3,4-tri(propan-2-yl)benzene;1-fluoro-2-methyl-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;6-fluoro-2,3,4-tri(propan-2-yl)benzonitrile;methane;1-methoxy-2,3,4-tri(propan-2-yl)benzene;2-methoxy-3,4,5-tri(propan-2-yl)pyridine;1-methyl-2,3,4-tri(propan-2-yl)benzene;2-methyl-3,4,5-tri(propan-2-yl)pyridine;1,2,3-tri(propan-2-yl)benzene;2,3,4-tri(propan-2-yl)benzonitrile;1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene;1,2,3-tri(propan-2-yl)-4-(trifluoromethyl)benzene has a molecular weight of 3055.38 g/mol, XLogP of 71.41, 39 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3,4-tri(propan-2-yl)benzene;1-fluoro-2-methyl-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;6-fluoro-2,3,4-tri(propan-2-yl)benzonitrile;methane;1-methoxy-2,3,4-tri(propan-2-yl)benzene;2-methoxy-3,4,5-tri(propan-2-yl)pyridine;1-methyl-2,3,4-tri(propan-2-yl)benzene;2-methyl-3,4,5-tri(propan-2-yl)pyridine;1,2,3-tri(propan-2-yl)benzene;2,3,4-tri(propan-2-yl)benzonitrile;1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene;1,2,3-tri(propan-2-yl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 158977667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).