1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;1-methyl-4-[3-(2-methylpropyl)phenyl]piperazine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine

C173H226Cl2F22N12O14S4 — CID 158295867

IUPAC1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;1-methyl-4-[3-(2-methylpropyl)phenyl]piperazine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)Cc1cc(Cl)c(O)c(Cl)c1.CC(C)Cc1cc2c(s1)N(C)C(=O)CO2.CC(C)Cc1cc2c(s1)NC(=O)CO2.CC(C)Cc1cc2c(s1)OCC(=O)N2.CC(C)Cc1cc2c(s1)OCC(=O)N2C.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)Cc1ccc(C(F)(F)F)nc1.CC(C)Cc1ccc(O)cc1.CC(C)Cc1ccc(OC(F)F)c(OC(F)F)c1.CC(C)Cc1cccc(C(F)(F)F)c1.CC(C)Cc1cccc(C(F)(F)F)n1.CC(C)Cc1cccc(C(N)=O)c1.CC(C)Cc1cccc(N2CCN(C)CC2)c1.CC(C)Cc1ccnc(C(F)(F)F)c1.CC(C)Cc1ccnc(C(F)(F)F)n1.Cc1cc(CC(C)C)cc(C)c1O
InChIInChI=1S/C15H24N2.C12H14F4O2.C12H18O.2C11H13F3.2C11H15NO2S.C11H15NO.C10H12Cl2O.3C10H12F3N.2C10H13NO2S.C10H14O.C9H11F3N2/c1-13(2)11-14-5-4-6-15(12-14)17-9-7-16(3)8-10-17;1-7(2)5-8-3-4-9(17-11(13)14)10(6-8)18-12(15)16;1-8(2)5-11-6-9(3)12(13)10(4)7-11;1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-7(2)4-8-5-9-11(15-8)12(3)10(13)6-14-9;1-7(2)4-8-5-9-11(15-8)14-6-10(13)12(9)3;1-8(2)6-9-4-3-5-10(7-9)11(12)13;1-6(2)3-7-4-8(11)10(13)9(12)5-7;1-7(2)5-8-3-4-14-9(6-8)10(11,12)13;1-7(2)5-8-3-4-9(14-6-8)10(11,12)13;1-7(2)6-8-4-3-5-9(14-8)10(11,12)13;1-6(2)3-7-4-8-10(14-7)11-9(12)5-13-8;1-6(2)3-7-4-8-10(14-7)13-5-9(12)11-8;1-8(2)7-9-3-5-10(11)6-4-9;1-6(2)5-7-3-4-13-8(14-7)9(10,11)12/h4-6,12-13H,7-11H2,1-3H3;3-4,6-7,11-12H,5H2,1-2H3;6-8,13H,5H2,1-4H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;2*5,7H,4,6H2,1-3H3;3-5,7-8H,6H2,1-2H3,(H2,12,13);4-6,13H,3H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;2*4,6H,3,5H2,1-2H3,(H,11,12);3-6,8,11H,7H2,1-2H3;3-4,6H,5H2,1-2H3
InChIKeyGLXAXEVDSYQFOK-UHFFFAOYSA-N
MW3314.91 g/mol
LogP47.96
Rot. Bonds38

About 1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;1-methyl-4-[3-(2-methylpropyl)phenyl]piperazine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine

1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;1-methyl-4-[3-(2-methylpropyl)phenyl]piperazine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 158295867) has the molecular formula C173H226Cl2F22N12O14S4 and a molecular weight of 3314.91 g/mol. Its IUPAC name is 1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;1-methyl-4-[3-(2-methylpropyl)phenyl]piperazine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;1-methyl-4-[3-(2-methylpropyl)phenyl]piperazine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
PubChem CID158295867
Molecular FormulaC173H226Cl2F22N12O14S4
Molecular Weight3314.91 g/mol
Exact Mass3311.53
IUPAC Name1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;1-methyl-4-[3-(2-methylpropyl)phenyl]piperazine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)Cc1cc(Cl)c(O)c(Cl)c1.CC(C)Cc1cc2c(s1)N(C)C(=O)CO2.CC(C)Cc1cc2c(s1)NC(=O)CO2.CC(C)Cc1cc2c(s1)OCC(=O)N2.CC(C)Cc1cc2c(s1)OCC(=O)N2C.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)Cc1ccc(C(F)(F)F)nc1.CC(C)Cc1ccc(O)cc1.CC(C)Cc1ccc(OC(F)F)c(OC(F)F)c1.CC(C)Cc1cccc(C(F)(F)F)c1.CC(C)Cc1cccc(C(F)(F)F)n1.CC(C)Cc1cccc(C(N)=O)c1.CC(C)Cc1cccc(N2CCN(C)CC2)c1.CC(C)Cc1ccnc(C(F)(F)F)c1.CC(C)Cc1ccnc(C(F)(F)F)n1.Cc1cc(CC(C)C)cc(C)c1O
InChIInChI=1S/C15H24N2.C12H14F4O2.C12H18O.2C11H13F3.2C11H15NO2S.C11H15NO.C10H12Cl2O.3C10H12F3N.2C10H13NO2S.C10H14O.C9H11F3N2/c1-13(2)11-14-5-4-6-15(12-14)17-9-7-16(3)8-10-17;1-7(2)5-8-3-4-9(17-11(13)14)10(6-8)18-12(15)16;1-8(2)5-11-6-9(3)12(13)10(4)7-11;1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-7(2)4-8-5-9-11(15-8)12(3)10(13)6-14-9;1-7(2)4-8-5-9-11(15-8)14-6-10(13)12(9)3;1-8(2)6-9-4-3-5-10(7-9)11(12)13;1-6(2)3-7-4-8(11)10(13)9(12)5-7;1-7(2)5-8-3-4-14-9(6-8)10(11,12)13;1-7(2)5-8-3-4-9(14-6-8)10(11,12)13;1-7(2)6-8-4-3-5-9(14-8)10(11,12)13;1-6(2)3-7-4-8-10(14-7)11-9(12)5-13-8;1-6(2)3-7-4-8-10(14-7)13-5-9(12)11-8;1-8(2)7-9-3-5-10(11)6-4-9;1-6(2)5-7-3-4-13-8(14-7)9(10,11)12/h4-6,12-13H,7-11H2,1-3H3;3-4,6-7,11-12H,5H2,1-2H3;6-8,13H,5H2,1-4H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;2*5,7H,4,6H2,1-3H3;3-5,7-8H,6H2,1-2H3,(H2,12,13);4-6,13H,3H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;2*4,6H,3,5H2,1-2H3,(H,11,12);3-6,8,11H,7H2,1-2H3;3-4,6H,5H2,1-2H3
InChIKeyGLXAXEVDSYQFOK-UHFFFAOYSA-N
XLogP47.96
TPSA328.91 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds38
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003314.91
LogP ≤ 547.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;1-methyl-4-[3-(2-methylpropyl)phenyl]piperazine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine with MolForge

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Related Compounds

1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;1-methyl-4-[3-(2-methylpropyl)phenyl]piperazine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene
CID 157764775
1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2-chloro-4-(2-methylpropyl)pyridine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;1-methyl-4-[3-(2-methylpropyl)phenyl]piperazine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 157901233
1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 157914845
2-chloro-4-(2-methylpropyl)pyridine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 158692287
2,6-dichloro-4-(2-methylpropyl)phenol;1,2-dimethyl-4-(2-methylpropyl)benzene;2,6-dimethyl-4-(2-methylpropyl)phenol;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;3-(2-methylpropyl)benzamide;2-methylpropylbenzene;4-(2-methylpropyl)phenol;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine;1,2,3-trifluoro-5-(2-methylpropyl)benzene
CID 158865939
2-tert-butyl-5-(2-methylpropyl)phenol;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;6-(2,2-dimethylpropyl)-1-methylthieno[2,3-b][1,4]oxazin-2-one;bis(6-(2,2-dimethylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one);2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 159258021
1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2-chloro-4-(2-methylpropyl)pyridine;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 159260460
2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 159415383
2-tert-butyl-5-(2-methylpropyl)phenol;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 159873632
1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 159996063
2-chloro-4-(2-methylpropyl)pyridine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 160197440
2-chloro-4-(2-methylpropyl)pyridine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 160410274

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;1-methyl-4-[3-(2-methylpropyl)phenyl]piperazine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;1-methyl-4-[3-(2-methylpropyl)phenyl]piperazine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine (CID 158295867) is 1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;1-methyl-4-[3-(2-methylpropyl)phenyl]piperazine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;1-methyl-4-[3-(2-methylpropyl)phenyl]piperazine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;1-methyl-4-[3-(2-methylpropyl)phenyl]piperazine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine is CC(C)Cc1cc(Cl)c(O)c(Cl)c1.CC(C)Cc1cc2c(s1)N(C)C(=O)CO2.CC(C)Cc1cc2c(s1)NC(=O)CO2.CC(C)Cc1cc2c(s1)OCC(=O)N2.CC(C)Cc1cc2c(s1)OCC(=O)N2C.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)Cc1ccc(C(F)(F)F)nc1.CC(C)Cc1ccc(O)cc1.CC(C)Cc1ccc(OC(F)F)c(OC(F)F)c1.CC(C)Cc1cccc(C(F)(F)F)c1.CC(C)Cc1cccc(C(F)(F)F)n1.CC(C)Cc1cccc(C(N)=O)c1.CC(C)Cc1cccc(N2CCN(C)CC2)c1.CC(C)Cc1ccnc(C(F)(F)F)c1.CC(C)Cc1ccnc(C(F)(F)F)n1.Cc1cc(CC(C)C)cc(C)c1O.
What is the InChIKey of 1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;1-methyl-4-[3-(2-methylpropyl)phenyl]piperazine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is GLXAXEVDSYQFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.C12H14F4O2.C12H18O.2C11H13F3.2C11H15NO2S.C11H15NO.C10H12Cl2O.3C10H12F3N.2C10H13NO2S.C10H14O.C9H11F3N2/c1-13(2)11-14-5-4-6-15(12-14)17-9-7-16(3)8-10-17;1-7(2)5-8-3-4-9(17-11(13)14)10(6-8)18-12(15)16;1-8(2)5-11-6-9(3)12(13)10(4)7-11;1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-7(2)4-8-5-9-11(15-8)12(3)10(13)6-14-9;1-7(2)4-8-5-9-11(15-8)14-6-10(13)12(9)3;1-8(2)6-9-4-3-5-10(7-9)11(12)13;1-6(2)3-7-4-8(11)10(13)9(12)5-7;1-7(2)5-8-3-4-14-9(6-8)10(11,12)13;1-7(2)5-8-3-4-9(14-6-8)10(11,12)13;1-7(2)6-8-4-3-5-9(14-8)10(11,12)13;1-6(2)3-7-4-8-10(14-7)11-9(12)5-13-8;1-6(2)3-7-4-8-10(14-7)13-5-9(12)11-8;1-8(2)7-9-3-5-10(11)6-4-9;1-6(2)5-7-3-4-13-8(14-7)9(10,11)12/h4-6,12-13H,7-11H2,1-3H3;3-4,6-7,11-12H,5H2,1-2H3;6-8,13H,5H2,1-4H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;2*5,7H,4,6H2,1-3H3;3-5,7-8H,6H2,1-2H3,(H2,12,13);4-6,13H,3H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;2*4,6H,3,5H2,1-2H3,(H,11,12);3-6,8,11H,7H2,1-2H3;3-4,6H,5H2,1-2H3.
What are the key properties of 1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;1-methyl-4-[3-(2-methylpropyl)phenyl]piperazine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;1-methyl-4-[3-(2-methylpropyl)phenyl]piperazine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 3314.91 g/mol, XLogP of 47.96, 38 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(difluoromethoxy)-4-(2-methylpropyl)benzene;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;1-methyl-4-[3-(2-methylpropyl)phenyl]piperazine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;4-methyl-6-(2-methylpropyl)thieno[3,2-b][1,4]oxazin-3-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;6-(2-methylpropyl)-4H-thieno[3,2-b][1,4]oxazin-3-one;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 158295867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).