1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(3-methylbutan-2-yl)benzene;bis(1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene);3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methylbutan-2-ylbenzene;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene

C185H265ClF11NO3S — CID 159882898

IUPAC1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(3-methylbutan-2-yl)benzene;bis(1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene);3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methylbutan-2-ylbenzene;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene
SMILESC.CC(C)C(C)c1cccc(F)c1.CC(C)C(C)c1ccccc1.CC(C)C1CCOc2ccc(F)cc21.CC(C)Cc1ccccc1.Cc1c(F)cc(C(C)C(C)C)cc1F.Cc1cc(C(C)C(C)C)ccc1F.Cc1cc(C(CO)C(C)C)cc(F)c1F.Cc1cc(Cl)cc(C(C)C(C)C)c1.Cc1cc(F)cc(C(C)C(C)C)c1.Cc1cc(F)cc(C(C)C(C)C)c1.Cc1cc(F)cc(C(CO)C(C)C)c1.Cc1ccc(C(C)C(C)C)cc1.Cc1ccc(C(C)C(C)C)cc1.Cc1ccc(C(C)C(C)C)s1.Cc1ccc(CC(C)C)cc1.Cc1ncc(C(C)C(C)C)cc1F
InChIInChI=1S/C12H17Cl.C12H16F2O.C12H16F2.C12H15FO.C12H17FO.3C12H17F.2C12H18.C11H16FN.C11H15F.2C11H16.C10H16S.C10H14.CH4/c1-8(2)10(4)11-5-9(3)6-12(13)7-11;1-7(2)10(6-15)9-4-8(3)12(14)11(13)5-9;1-7(2)8(3)10-5-11(13)9(4)12(14)6-10;1-8(2)10-5-6-14-12-4-3-9(13)7-11(10)12;1-8(2)12(7-14)10-4-9(3)5-11(13)6-10;2*1-8(2)10(4)11-5-9(3)6-12(13)7-11;1-8(2)10(4)11-5-6-12(13)9(3)7-11;2*1-9(2)11(4)12-7-5-10(3)6-8-12;1-7(2)8(3)10-5-11(12)9(4)13-6-10;1-8(2)9(3)10-5-4-6-11(12)7-10;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)10(3)11-7-5-4-6-8-11;1-7(2)9(4)10-6-5-8(3)11-10;1-9(2)8-10-6-4-3-5-7-10;/h5-8,10H,1-4H3;4-5,7,10,15H,6H2,1-3H3;5-8H,1-4H3;3-4,7-8,10H,5-6H2,1-2H3;4-6,8,12,14H,7H2,1-3H3;3*5-8,10H,1-4H3;2*5-9,11H,1-4H3;5-8H,1-4H3;4-9H,1-3H3;4-7,9H,8H2,1-3H3;4-10H,1-3H3;5-7,9H,1-4H3;3-7,9H,8H2,1-2H3;1H4
InChIKeyNTTGHJQPJNZODM-UHFFFAOYSA-N
MW2827.66 g/mol
LogP57.70
Rot. Bonds33

About 1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(3-methylbutan-2-yl)benzene;bis(1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene);3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methylbutan-2-ylbenzene;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene

1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(3-methylbutan-2-yl)benzene;bis(1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene);3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methylbutan-2-ylbenzene;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene (PubChem CID 159882898) has the molecular formula C185H265ClF11NO3S and a molecular weight of 2827.66 g/mol. Its IUPAC name is 1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(3-methylbutan-2-yl)benzene;bis(1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene);3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methylbutan-2-ylbenzene;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene.

Molecular Properties

Compound Name1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(3-methylbutan-2-yl)benzene;bis(1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene);3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methylbutan-2-ylbenzene;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene
PubChem CID159882898
Molecular FormulaC185H265ClF11NO3S
Molecular Weight2827.66 g/mol
Exact Mass2824.98
IUPAC Name1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(3-methylbutan-2-yl)benzene;bis(1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene);3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methylbutan-2-ylbenzene;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene
SMILESC.CC(C)C(C)c1cccc(F)c1.CC(C)C(C)c1ccccc1.CC(C)C1CCOc2ccc(F)cc21.CC(C)Cc1ccccc1.Cc1c(F)cc(C(C)C(C)C)cc1F.Cc1cc(C(C)C(C)C)ccc1F.Cc1cc(C(CO)C(C)C)cc(F)c1F.Cc1cc(Cl)cc(C(C)C(C)C)c1.Cc1cc(F)cc(C(C)C(C)C)c1.Cc1cc(F)cc(C(C)C(C)C)c1.Cc1cc(F)cc(C(CO)C(C)C)c1.Cc1ccc(C(C)C(C)C)cc1.Cc1ccc(C(C)C(C)C)cc1.Cc1ccc(C(C)C(C)C)s1.Cc1ccc(CC(C)C)cc1.Cc1ncc(C(C)C(C)C)cc1F
InChIInChI=1S/C12H17Cl.C12H16F2O.C12H16F2.C12H15FO.C12H17FO.3C12H17F.2C12H18.C11H16FN.C11H15F.2C11H16.C10H16S.C10H14.CH4/c1-8(2)10(4)11-5-9(3)6-12(13)7-11;1-7(2)10(6-15)9-4-8(3)12(14)11(13)5-9;1-7(2)8(3)10-5-11(13)9(4)12(14)6-10;1-8(2)10-5-6-14-12-4-3-9(13)7-11(10)12;1-8(2)12(7-14)10-4-9(3)5-11(13)6-10;2*1-8(2)10(4)11-5-9(3)6-12(13)7-11;1-8(2)10(4)11-5-6-12(13)9(3)7-11;2*1-9(2)11(4)12-7-5-10(3)6-8-12;1-7(2)8(3)10-5-11(12)9(4)13-6-10;1-8(2)9(3)10-5-4-6-11(12)7-10;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)10(3)11-7-5-4-6-8-11;1-7(2)9(4)10-6-5-8(3)11-10;1-9(2)8-10-6-4-3-5-7-10;/h5-8,10H,1-4H3;4-5,7,10,15H,6H2,1-3H3;5-8H,1-4H3;3-4,7-8,10H,5-6H2,1-2H3;4-6,8,12,14H,7H2,1-3H3;3*5-8,10H,1-4H3;2*5-9,11H,1-4H3;5-8H,1-4H3;4-9H,1-3H3;4-7,9H,8H2,1-3H3;4-10H,1-3H3;5-7,9H,1-4H3;3-7,9H,8H2,1-2H3;1H4
InChIKeyNTTGHJQPJNZODM-UHFFFAOYSA-N
XLogP57.70
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds33
Heavy Atoms202
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002827.66
LogP ≤ 557.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(3-methylbutan-2-yl)benzene;bis(1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene);3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methylbutan-2-ylbenzene;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene with MolForge

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Launch Full Analysis

Related Compounds

1-{5-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-yl]-pyridin-3-yl}-2,2,2-trifluoro-ethanol
CID 10207799
2-{5-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-yl]-pyridin-3-yl}-1,1,1,3,3,3-hexafluoro-propan-2-ol
CID 44392477
2-Chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-methylbutane;3-methylbutylbenzene;2-methylpropane;tris(1-methyl-4-propan-2-ylbenzene);1-phenyl-3-propan-2-ylbenzene;5-propan-2-ylbicyclo[2.2.1]hept-2-ene;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;(2-propan-2-ylphenyl)methanol;3-propan-2-ylpyridine;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene
CID 157480403
1-chloro-3-methyl-5-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-fluoro-3-methyl-5-propan-2-ylbenzene);2-fluoro-4-methyl-1-propan-2-ylbenzene;3-fluoro-2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;pentakis(1-methyl-4-propan-2-ylbenzene);3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;pentafluoro-(3-propan-2-ylphenyl)-lambda6-sulfane;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;4-propan-2-yl-3,4-dihydro-2H-chromene
CID 161746943
2-Chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);methane;2-methylbutane;3-methylbutylbenzene;2-methylpropane;tris(1-methyl-4-propan-2-ylbenzene);1-phenyl-3-propan-2-ylbenzene;5-propan-2-ylbicyclo[2.2.1]hept-2-ene;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;(2-propan-2-ylphenyl)methanol;3-propan-2-ylpyridine;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene
CID 162100577
[5-[3-(5-Chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-2-pyridinyl]methanol
CID 69308636
2-[5-[3-(5-Chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-2-pyridinyl]propan-2-ol
CID 69313904
2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane
CID 158107432
2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;3-methyl-2-(3-methylphenyl)butan-1-ol;tris(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane
CID 158307927
5-tert-butyl-2,3-difluoropyridine;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenoxy)-pentafluoro-lambda6-sulfane;(3-tert-butylphenyl)-pentafluoro-lambda6-sulfane;1-chloro-2,4-difluoro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene
CID 158440167
tert-butylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;5-tert-butyl-3-fluoro-2-methylpyridine;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylthiophene;1-chloro-3-methyl-5-propan-2-ylbenzene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;methane;3-methyl-2-(4-methylphenyl)butan-1-ol;1-methyl-4-(2-methylpropyl)benzene;3-methyl-2-[3-(pentafluoro-lambda6-sulfanyl)oxyphenyl]butan-1-ol;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene;pentafluoro-[3-methyl-2-(4-methylphenyl)butoxy]-lambda6-sulfane
CID 158706892
tert-butylbenzene;1-tert-butyl-4-fluorobenzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1,3-difluoro-5-propan-2-ylbenzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;3-methyl-2-(4-methylphenyl)butan-1-ol;bis(1-methyl-4-(2-methylpropyl)benzene);[5-methyl-2-(2-methylpropyl)phenyl]methanol;2-methyl-5-(2-methylpropyl)thiophene;3-methyl-2-[3-(pentafluoro-lambda6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[4-(pentafluoro-lambda6-sulfanyl)phenyl]butan-1-ol;pentafluoro-[2-(4-fluorophenyl)-3-methylbutoxy]-lambda6-sulfane;pentafluoro-[4-(2-methylpropyl)phenyl]-lambda6-sulfane;1,2,3-trifluoro-5-propan-2-ylbenzene
CID 158974387

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(3-methylbutan-2-yl)benzene;bis(1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene);3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methylbutan-2-ylbenzene;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene?
The IUPAC name of 1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(3-methylbutan-2-yl)benzene;bis(1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene);3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methylbutan-2-ylbenzene;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene (CID 159882898) is 1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(3-methylbutan-2-yl)benzene;bis(1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene);3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methylbutan-2-ylbenzene;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene.
What is the SMILES notation for 1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(3-methylbutan-2-yl)benzene;bis(1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene);3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methylbutan-2-ylbenzene;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene?
The canonical SMILES for 1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(3-methylbutan-2-yl)benzene;bis(1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene);3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methylbutan-2-ylbenzene;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene is C.CC(C)C(C)c1cccc(F)c1.CC(C)C(C)c1ccccc1.CC(C)C1CCOc2ccc(F)cc21.CC(C)Cc1ccccc1.Cc1c(F)cc(C(C)C(C)C)cc1F.Cc1cc(C(C)C(C)C)ccc1F.Cc1cc(C(CO)C(C)C)cc(F)c1F.Cc1cc(Cl)cc(C(C)C(C)C)c1.Cc1cc(F)cc(C(C)C(C)C)c1.Cc1cc(F)cc(C(C)C(C)C)c1.Cc1cc(F)cc(C(CO)C(C)C)c1.Cc1ccc(C(C)C(C)C)cc1.Cc1ccc(C(C)C(C)C)cc1.Cc1ccc(C(C)C(C)C)s1.Cc1ccc(CC(C)C)cc1.Cc1ncc(C(C)C(C)C)cc1F.
What is the InChIKey of 1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(3-methylbutan-2-yl)benzene;bis(1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene);3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methylbutan-2-ylbenzene;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene?
The InChIKey is NTTGHJQPJNZODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl.C12H16F2O.C12H16F2.C12H15FO.C12H17FO.3C12H17F.2C12H18.C11H16FN.C11H15F.2C11H16.C10H16S.C10H14.CH4/c1-8(2)10(4)11-5-9(3)6-12(13)7-11;1-7(2)10(6-15)9-4-8(3)12(14)11(13)5-9;1-7(2)8(3)10-5-11(13)9(4)12(14)6-10;1-8(2)10-5-6-14-12-4-3-9(13)7-11(10)12;1-8(2)12(7-14)10-4-9(3)5-11(13)6-10;2*1-8(2)10(4)11-5-9(3)6-12(13)7-11;1-8(2)10(4)11-5-6-12(13)9(3)7-11;2*1-9(2)11(4)12-7-5-10(3)6-8-12;1-7(2)8(3)10-5-11(12)9(4)13-6-10;1-8(2)9(3)10-5-4-6-11(12)7-10;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)10(3)11-7-5-4-6-8-11;1-7(2)9(4)10-6-5-8(3)11-10;1-9(2)8-10-6-4-3-5-7-10;/h5-8,10H,1-4H3;4-5,7,10,15H,6H2,1-3H3;5-8H,1-4H3;3-4,7-8,10H,5-6H2,1-2H3;4-6,8,12,14H,7H2,1-3H3;3*5-8,10H,1-4H3;2*5-9,11H,1-4H3;5-8H,1-4H3;4-9H,1-3H3;4-7,9H,8H2,1-3H3;4-10H,1-3H3;5-7,9H,1-4H3;3-7,9H,8H2,1-2H3;1H4.
What are the key properties of 1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(3-methylbutan-2-yl)benzene;bis(1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene);3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methylbutan-2-ylbenzene;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene?
1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(3-methylbutan-2-yl)benzene;bis(1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene);3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methylbutan-2-ylbenzene;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene has a molecular weight of 2827.66 g/mol, XLogP of 57.70, 33 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(3-methylbutan-2-yl)benzene;bis(1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene);3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methylbutan-2-ylbenzene;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene is sourced from PubChem (CID 159882898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).