2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;3-chloro-5-methyl-2-propan-2-ylthiophene;deuterium monohydride;2-(difluoromethoxy)-4-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);bis(2-ethyl-4-methyl-1-propan-2-ylbenzene);2-ethyl-6-methyl-3-propan-2-ylpyridine;1-fluoro-3,5-dimethyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;3-methoxy-5-methyl-2-propan-2-ylpyridine;4-methoxy-2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene

C198H330Cl3F12N5O5S — CID 158947174

IUPAC2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;3-chloro-5-methyl-2-propan-2-ylthiophene;deuterium monohydride;2-(difluoromethoxy)-4-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);bis(2-ethyl-4-methyl-1-propan-2-ylbenzene);2-ethyl-6-methyl-3-propan-2-ylpyridine;1-fluoro-3,5-dimethyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;3-methoxy-5-methyl-2-propan-2-ylpyridine;4-methoxy-2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESC.C.C.C.C.C.C.C.CCc1cc(C)ccc1C(C)C.CCc1cc(C)ccc1C(C)C.CCc1nc(C)ccc1C(C)C.COc1cc(C)cnc1C(C)C.COc1cc(C)ncc1C(C)C.Cc1cc(C)c(C(C)C)c(F)c1.Cc1cc(Cl)c(C(C)C)s1.Cc1ccc(C(C)C)c(C(F)(F)F)c1.Cc1ccc(C(C)C)c(C(F)F)c1.Cc1ccc(C(C)C)c(C(N)=O)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)c(OC(F)(F)F)c1.Cc1ccc(C(C)C)c(OC(F)F)c1.Cc1ccc(C(C)C)cc1.Cc1cnc(C(C)C)c(Cl)c1.[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H]
InChIInChI=1S/2C12H18.C11H13F3O.C11H13F3.C11H14F2O.C11H14F2.C11H15F.C11H15NO.C11H17N.2C11H16.C10H13Cl.C10H13F.2C10H15NO.C10H14.C9H12ClN.C8H11ClS.8CH4.18H2/c2*1-5-11-8-10(4)6-7-12(11)9(2)3;1-7(2)9-5-4-8(3)6-10(9)15-11(12,13)14;1-7(2)9-5-4-8(3)6-10(9)11(12,13)14;1-7(2)9-5-4-8(3)6-10(9)14-11(12)13;1-7(2)9-5-4-8(3)6-10(9)11(12)13;1-7(2)11-9(4)5-8(3)6-10(11)12;1-7(2)9-5-4-8(3)6-10(9)11(12)13;1-5-11-10(8(2)3)7-6-9(4)12-11;2*1-8(2)11-6-5-9(3)7-10(11)4;2*1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)9-6-11-8(3)5-10(9)12-4;1-7(2)10-9(12-4)5-8(3)6-11-10;1-8(2)10-6-4-9(3)5-7-10;1-6(2)9-8(10)4-7(3)5-11-9;1-5(2)8-7(9)4-6(3)10-8;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*6-9H,5H2,1-4H3;4-7H,1-3H3;4-7H,1-3H3;4-7,11H,1-3H3;4-7,11H,1-3H3;5-7H,1-4H3;4-7H,1-3H3,(H2,12,13);6-8H,5H2,1-4H3;2*5-8H,1-4H3;2*4-7H,1-3H3;2*5-7H,1-4H3;4-8H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;8*1H4;18*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;18*1+1
InChIKeyJKYTXWAJHRBKFQ-JZZDFYOYSA-N
MW3245.36 g/mol
LogP70.71
Rot. Bonds28

About 2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;3-chloro-5-methyl-2-propan-2-ylthiophene;deuterium monohydride;2-(difluoromethoxy)-4-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);bis(2-ethyl-4-methyl-1-propan-2-ylbenzene);2-ethyl-6-methyl-3-propan-2-ylpyridine;1-fluoro-3,5-dimethyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;3-methoxy-5-methyl-2-propan-2-ylpyridine;4-methoxy-2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene

2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;3-chloro-5-methyl-2-propan-2-ylthiophene;deuterium monohydride;2-(difluoromethoxy)-4-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);bis(2-ethyl-4-methyl-1-propan-2-ylbenzene);2-ethyl-6-methyl-3-propan-2-ylpyridine;1-fluoro-3,5-dimethyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;3-methoxy-5-methyl-2-propan-2-ylpyridine;4-methoxy-2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene (PubChem CID 158947174) has the molecular formula C198H330Cl3F12N5O5S and a molecular weight of 3245.36 g/mol. Its IUPAC name is 2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;3-chloro-5-methyl-2-propan-2-ylthiophene;deuterium monohydride;2-(difluoromethoxy)-4-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);bis(2-ethyl-4-methyl-1-propan-2-ylbenzene);2-ethyl-6-methyl-3-propan-2-ylpyridine;1-fluoro-3,5-dimethyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;3-methoxy-5-methyl-2-propan-2-ylpyridine;4-methoxy-2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;3-chloro-5-methyl-2-propan-2-ylthiophene;deuterium monohydride;2-(difluoromethoxy)-4-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);bis(2-ethyl-4-methyl-1-propan-2-ylbenzene);2-ethyl-6-methyl-3-propan-2-ylpyridine;1-fluoro-3,5-dimethyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;3-methoxy-5-methyl-2-propan-2-ylpyridine;4-methoxy-2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene
PubChem CID158947174
Molecular FormulaC198H330Cl3F12N5O5S
Molecular Weight3245.36 g/mol
Exact Mass3241.54
IUPAC Name2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;3-chloro-5-methyl-2-propan-2-ylthiophene;deuterium monohydride;2-(difluoromethoxy)-4-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);bis(2-ethyl-4-methyl-1-propan-2-ylbenzene);2-ethyl-6-methyl-3-propan-2-ylpyridine;1-fluoro-3,5-dimethyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;3-methoxy-5-methyl-2-propan-2-ylpyridine;4-methoxy-2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESC.C.C.C.C.C.C.C.CCc1cc(C)ccc1C(C)C.CCc1cc(C)ccc1C(C)C.CCc1nc(C)ccc1C(C)C.COc1cc(C)cnc1C(C)C.COc1cc(C)ncc1C(C)C.Cc1cc(C)c(C(C)C)c(F)c1.Cc1cc(Cl)c(C(C)C)s1.Cc1ccc(C(C)C)c(C(F)(F)F)c1.Cc1ccc(C(C)C)c(C(F)F)c1.Cc1ccc(C(C)C)c(C(N)=O)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)c(OC(F)(F)F)c1.Cc1ccc(C(C)C)c(OC(F)F)c1.Cc1ccc(C(C)C)cc1.Cc1cnc(C(C)C)c(Cl)c1.[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H]
InChIInChI=1S/2C12H18.C11H13F3O.C11H13F3.C11H14F2O.C11H14F2.C11H15F.C11H15NO.C11H17N.2C11H16.C10H13Cl.C10H13F.2C10H15NO.C10H14.C9H12ClN.C8H11ClS.8CH4.18H2/c2*1-5-11-8-10(4)6-7-12(11)9(2)3;1-7(2)9-5-4-8(3)6-10(9)15-11(12,13)14;1-7(2)9-5-4-8(3)6-10(9)11(12,13)14;1-7(2)9-5-4-8(3)6-10(9)14-11(12)13;1-7(2)9-5-4-8(3)6-10(9)11(12)13;1-7(2)11-9(4)5-8(3)6-10(11)12;1-7(2)9-5-4-8(3)6-10(9)11(12)13;1-5-11-10(8(2)3)7-6-9(4)12-11;2*1-8(2)11-6-5-9(3)7-10(11)4;2*1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)9-6-11-8(3)5-10(9)12-4;1-7(2)10-9(12-4)5-8(3)6-11-10;1-8(2)10-6-4-9(3)5-7-10;1-6(2)9-8(10)4-7(3)5-11-9;1-5(2)8-7(9)4-6(3)10-8;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*6-9H,5H2,1-4H3;4-7H,1-3H3;4-7H,1-3H3;4-7,11H,1-3H3;4-7,11H,1-3H3;5-7H,1-4H3;4-7H,1-3H3,(H2,12,13);6-8H,5H2,1-4H3;2*5-8H,1-4H3;2*4-7H,1-3H3;2*5-7H,1-4H3;4-8H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;8*1H4;18*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;18*1+1
InChIKeyJKYTXWAJHRBKFQ-JZZDFYOYSA-N
XLogP70.71
TPSA131.57 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms224
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003245.36
LogP ≤ 570.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;3-chloro-5-methyl-2-propan-2-ylthiophene;deuterium monohydride;2-(difluoromethoxy)-4-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);bis(2-ethyl-4-methyl-1-propan-2-ylbenzene);2-ethyl-6-methyl-3-propan-2-ylpyridine;1-fluoro-3,5-dimethyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;3-methoxy-5-methyl-2-propan-2-ylpyridine;4-methoxy-2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene with MolForge

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Launch Full Analysis

Related Compounds

1-Chloro-3,5-dimethyl-2-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylthiophene;deuterium monohydride;2-(difluoromethoxy)-4-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-ethyl-4-methyl-1-propan-2-ylbenzene;1-fluoro-3,5-dimethyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;3-methoxy-5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylthiophene;4-methyl-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 161072286
1-Chloro-5-deuterio-3-fluoro-2-propan-2-ylbenzene;2-chloro-4-deuterio-1-propan-2-ylbenzene;3-chloro-5-deuterio-2-propan-2-ylthiophene;4-deuterio-2-(difluoromethoxy)-1-propan-2-ylbenzene;4-deuterio-2-(difluoromethyl)-1-propan-2-ylbenzene;4-deuterio-2-ethyl-1-propan-2-ylbenzene;4-deuterio-2-fluoro-1-propan-2-ylbenzene;deuteriomethane;1-deuterio-2-methoxy-4-propan-2-ylbenzene;4-deuterio-2-methoxy-1-propan-2-ylbenzene;5-deuterio-3-methoxy-2-propan-2-ylpyridine;4-deuterio-2-methyl-1-propan-2-ylbenzene;5-deuterio-2-propan-2-ylbenzamide;1-deuterio-4-propan-2-ylbenzene;5-deuterio-2-propan-2-ylbenzonitrile;2-deuterio-5-propan-2-yl-1,3-thiazole;2-deuterio-5-propan-2-ylthiophene;4-deuterio-1-propan-2-yl-2-(trifluoromethoxy)benzene;1,3-dichloro-5-deuterio-2-propan-2-ylbenzene
CID 158103921
2-Chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;2-methylbenzamide;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
CID 159982036

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;3-chloro-5-methyl-2-propan-2-ylthiophene;deuterium monohydride;2-(difluoromethoxy)-4-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);bis(2-ethyl-4-methyl-1-propan-2-ylbenzene);2-ethyl-6-methyl-3-propan-2-ylpyridine;1-fluoro-3,5-dimethyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;3-methoxy-5-methyl-2-propan-2-ylpyridine;4-methoxy-2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;3-chloro-5-methyl-2-propan-2-ylthiophene;deuterium monohydride;2-(difluoromethoxy)-4-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);bis(2-ethyl-4-methyl-1-propan-2-ylbenzene);2-ethyl-6-methyl-3-propan-2-ylpyridine;1-fluoro-3,5-dimethyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;3-methoxy-5-methyl-2-propan-2-ylpyridine;4-methoxy-2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene (CID 158947174) is 2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;3-chloro-5-methyl-2-propan-2-ylthiophene;deuterium monohydride;2-(difluoromethoxy)-4-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);bis(2-ethyl-4-methyl-1-propan-2-ylbenzene);2-ethyl-6-methyl-3-propan-2-ylpyridine;1-fluoro-3,5-dimethyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;3-methoxy-5-methyl-2-propan-2-ylpyridine;4-methoxy-2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;3-chloro-5-methyl-2-propan-2-ylthiophene;deuterium monohydride;2-(difluoromethoxy)-4-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);bis(2-ethyl-4-methyl-1-propan-2-ylbenzene);2-ethyl-6-methyl-3-propan-2-ylpyridine;1-fluoro-3,5-dimethyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;3-methoxy-5-methyl-2-propan-2-ylpyridine;4-methoxy-2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;3-chloro-5-methyl-2-propan-2-ylthiophene;deuterium monohydride;2-(difluoromethoxy)-4-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);bis(2-ethyl-4-methyl-1-propan-2-ylbenzene);2-ethyl-6-methyl-3-propan-2-ylpyridine;1-fluoro-3,5-dimethyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;3-methoxy-5-methyl-2-propan-2-ylpyridine;4-methoxy-2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene is C.C.C.C.C.C.C.C.CCc1cc(C)ccc1C(C)C.CCc1cc(C)ccc1C(C)C.CCc1nc(C)ccc1C(C)C.COc1cc(C)cnc1C(C)C.COc1cc(C)ncc1C(C)C.Cc1cc(C)c(C(C)C)c(F)c1.Cc1cc(Cl)c(C(C)C)s1.Cc1ccc(C(C)C)c(C(F)(F)F)c1.Cc1ccc(C(C)C)c(C(F)F)c1.Cc1ccc(C(C)C)c(C(N)=O)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)c(OC(F)(F)F)c1.Cc1ccc(C(C)C)c(OC(F)F)c1.Cc1ccc(C(C)C)cc1.Cc1cnc(C(C)C)c(Cl)c1.[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].
What is the InChIKey of 2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;3-chloro-5-methyl-2-propan-2-ylthiophene;deuterium monohydride;2-(difluoromethoxy)-4-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);bis(2-ethyl-4-methyl-1-propan-2-ylbenzene);2-ethyl-6-methyl-3-propan-2-ylpyridine;1-fluoro-3,5-dimethyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;3-methoxy-5-methyl-2-propan-2-ylpyridine;4-methoxy-2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene?
The InChIKey is JKYTXWAJHRBKFQ-JZZDFYOYSA-N. The full InChI is InChI=1S/2C12H18.C11H13F3O.C11H13F3.C11H14F2O.C11H14F2.C11H15F.C11H15NO.C11H17N.2C11H16.C10H13Cl.C10H13F.2C10H15NO.C10H14.C9H12ClN.C8H11ClS.8CH4.18H2/c2*1-5-11-8-10(4)6-7-12(11)9(2)3;1-7(2)9-5-4-8(3)6-10(9)15-11(12,13)14;1-7(2)9-5-4-8(3)6-10(9)11(12,13)14;1-7(2)9-5-4-8(3)6-10(9)14-11(12)13;1-7(2)9-5-4-8(3)6-10(9)11(12)13;1-7(2)11-9(4)5-8(3)6-10(11)12;1-7(2)9-5-4-8(3)6-10(9)11(12)13;1-5-11-10(8(2)3)7-6-9(4)12-11;2*1-8(2)11-6-5-9(3)7-10(11)4;2*1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)9-6-11-8(3)5-10(9)12-4;1-7(2)10-9(12-4)5-8(3)6-11-10;1-8(2)10-6-4-9(3)5-7-10;1-6(2)9-8(10)4-7(3)5-11-9;1-5(2)8-7(9)4-6(3)10-8;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*6-9H,5H2,1-4H3;4-7H,1-3H3;4-7H,1-3H3;4-7,11H,1-3H3;4-7,11H,1-3H3;5-7H,1-4H3;4-7H,1-3H3,(H2,12,13);6-8H,5H2,1-4H3;2*5-8H,1-4H3;2*4-7H,1-3H3;2*5-7H,1-4H3;4-8H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;8*1H4;18*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;18*1+1.
What are the key properties of 2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;3-chloro-5-methyl-2-propan-2-ylthiophene;deuterium monohydride;2-(difluoromethoxy)-4-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);bis(2-ethyl-4-methyl-1-propan-2-ylbenzene);2-ethyl-6-methyl-3-propan-2-ylpyridine;1-fluoro-3,5-dimethyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;3-methoxy-5-methyl-2-propan-2-ylpyridine;4-methoxy-2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene?
2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;3-chloro-5-methyl-2-propan-2-ylthiophene;deuterium monohydride;2-(difluoromethoxy)-4-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);bis(2-ethyl-4-methyl-1-propan-2-ylbenzene);2-ethyl-6-methyl-3-propan-2-ylpyridine;1-fluoro-3,5-dimethyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;3-methoxy-5-methyl-2-propan-2-ylpyridine;4-methoxy-2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene has a molecular weight of 3245.36 g/mol, XLogP of 70.71, 28 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;3-chloro-5-methyl-2-propan-2-ylthiophene;deuterium monohydride;2-(difluoromethoxy)-4-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);bis(2-ethyl-4-methyl-1-propan-2-ylbenzene);2-ethyl-6-methyl-3-propan-2-ylpyridine;1-fluoro-3,5-dimethyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;3-methoxy-5-methyl-2-propan-2-ylpyridine;4-methoxy-2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 158947174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).