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

C189H295Cl3F12N2O6S2 — CID 161072286

IUPAC1-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
SMILESCCc1cc(C)ccc1C(C)C.COc1cc(C(C)C)ccc1C.COc1cc(C)ccc1C(C)C.COc1cc(C)cnc1C(C)C.Cc1cc(C)c(C(C)C)c(Cl)c1.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.Cc1ccc(C(C)C)s1.[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/C12H18.C11H15Cl.C11H13F3O.C11H13F3.C11H14F2O.C11H14F2.C11H15F.C11H15NO.2C11H16O.2C11H16.C10H13Cl.C10H13F.C10H15NO.C10H14.C8H11ClS.C8H12S.18H2/c1-5-11-8-10(4)6-7-12(11)9(2)3;1-7(2)11-9(4)5-8(3)6-10(11)12;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;1-8(2)10-6-5-9(3)11(7-10)12-4;1-8(2)10-6-5-9(3)7-11(10)12-4;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)10-9(12-4)5-8(3)6-11-10;1-8(2)10-6-4-9(3)5-7-10;1-5(2)8-7(9)4-6(3)10-8;1-6(2)8-5-4-7(3)9-8;;;;;;;;;;;;;;;;;;/h6-9H,5H2,1-4H3;5-7H,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);2*5-8H,1-4H3;2*5-8H,1-4H3;2*4-7H,1-3H3;5-7H,1-4H3;4-8H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;18*1H/i;;;;;;;;;;;;;;;;;;18*1+1
InChIKeyUEUWGMUTIONMQR-MJHKRYOHSA-N
MW3108.03 g/mol
LogP66.69
Rot. Bonds27

About 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

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 (PubChem CID 161072286) has the molecular formula C189H295Cl3F12N2O6S2 and a molecular weight of 3108.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID161072286
Molecular FormulaC189H295Cl3F12N2O6S2
Molecular Weight3108.03 g/mol
Exact Mass3104.23
IUPAC Name1-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
SMILESCCc1cc(C)ccc1C(C)C.COc1cc(C(C)C)ccc1C.COc1cc(C)ccc1C(C)C.COc1cc(C)cnc1C(C)C.Cc1cc(C)c(C(C)C)c(Cl)c1.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.Cc1ccc(C(C)C)s1.[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/C12H18.C11H15Cl.C11H13F3O.C11H13F3.C11H14F2O.C11H14F2.C11H15F.C11H15NO.2C11H16O.2C11H16.C10H13Cl.C10H13F.C10H15NO.C10H14.C8H11ClS.C8H12S.18H2/c1-5-11-8-10(4)6-7-12(11)9(2)3;1-7(2)11-9(4)5-8(3)6-10(11)12;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;1-8(2)10-6-5-9(3)11(7-10)12-4;1-8(2)10-6-5-9(3)7-11(10)12-4;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)10-9(12-4)5-8(3)6-11-10;1-8(2)10-6-4-9(3)5-7-10;1-5(2)8-7(9)4-6(3)10-8;1-6(2)8-5-4-7(3)9-8;;;;;;;;;;;;;;;;;;/h6-9H,5H2,1-4H3;5-7H,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);2*5-8H,1-4H3;2*5-8H,1-4H3;2*4-7H,1-3H3;5-7H,1-4H3;4-8H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;18*1H/i;;;;;;;;;;;;;;;;;;18*1+1
InChIKeyUEUWGMUTIONMQR-MJHKRYOHSA-N
XLogP66.69
TPSA102.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds27
Heavy Atoms214
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003108.03
LogP ≤ 566.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(C)ccc1C(C)C.COc1cc(C(C)C)ccc1C.COc1cc(C)ccc1C(C)C.COc1cc(C)cnc1C(C)C.Cc1cc(C)c(C(C)C)c(Cl)c1.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.Cc1ccc(C(C)C)s1.[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 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?
The InChIKey is UEUWGMUTIONMQR-MJHKRYOHSA-N. The full InChI is InChI=1S/C12H18.C11H15Cl.C11H13F3O.C11H13F3.C11H14F2O.C11H14F2.C11H15F.C11H15NO.2C11H16O.2C11H16.C10H13Cl.C10H13F.C10H15NO.C10H14.C8H11ClS.C8H12S.18H2/c1-5-11-8-10(4)6-7-12(11)9(2)3;1-7(2)11-9(4)5-8(3)6-10(11)12;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;1-8(2)10-6-5-9(3)11(7-10)12-4;1-8(2)10-6-5-9(3)7-11(10)12-4;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)10-9(12-4)5-8(3)6-11-10;1-8(2)10-6-4-9(3)5-7-10;1-5(2)8-7(9)4-6(3)10-8;1-6(2)8-5-4-7(3)9-8;;;;;;;;;;;;;;;;;;/h6-9H,5H2,1-4H3;5-7H,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);2*5-8H,1-4H3;2*5-8H,1-4H3;2*4-7H,1-3H3;5-7H,1-4H3;4-8H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;18*1H/i;;;;;;;;;;;;;;;;;;18*1+1.
What are the key properties of 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?
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 has a molecular weight of 3108.03 g/mol, XLogP of 66.69, 27 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161072286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).