1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,4-dichlorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-4-(trifluoromethyl)benzene;2-tert-butyl-1-fluoro-4-(trifluoromethyl)benzene;1-tert-butyl-4-methoxy-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);4-methoxy-1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;[2-propan-2-yl-4-(trifluoromethyl)phenyl]methanol;[2-propan-2-yl-5-(trifluoromethyl)phenyl]methanol

C321H405Cl10F44NO4 — CID 157406338

IUPAC1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,4-dichlorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-4-(trifluoromethyl)benzene;2-tert-butyl-1-fluoro-4-(trifluoromethyl)benzene;1-tert-butyl-4-methoxy-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);4-methoxy-1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;[2-propan-2-yl-4-(trifluoromethyl)phenyl]methanol;[2-propan-2-yl-5-(trifluoromethyl)phenyl]methanol
SMILESCC(C)(C)c1cc(C(F)(F)F)ccc1Cl.CC(C)(C)c1cc(C(F)(F)F)ccc1F.CC(C)(C)c1cc(Cl)ccc1Cl.CC(C)(C)c1ccc(C(F)(F)F)cc1F.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1cccc(F)c1.CC(C)c1cc(C(F)(F)F)ccc1CO.CC(C)c1cc(F)ccc1F.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1CO.CC(C)c1ccc(C(F)(F)F)cc1Cl.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccccc1Cl.COc1ccc(C(C)(C)C)c(C)c1.COc1ccc(C)c(C(C)C)c1.Cc1cc(C#N)ccc1C(C)C.Cc1cc(C(F)(F)F)ccc1C(C)(C)C.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(F)(F)F)cc1C(C)(C)C.Cc1ccc(C(F)(F)F)cc1C(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(Cl)cc1C(C)(C)C.Cc1ccc(F)cc1C(C)(C)C.Cc1ccccc1C(C)C
InChIInChI=1S/C13H20.2C12H15F3.C12H18O.C11H12ClF3.2C11H15Cl.2C11H12F4.2C11H13F3O.3C11H13F3.C11H15F.C11H13N.C11H16O.2C11H16.C10H12Cl2.C10H10ClF3.C10H13Cl.C10H11F3.3C10H13F.C10H14.C9H10Cl2.C9H11Cl.C9H10F2/c1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8-7-9(12(13,14)15)5-6-10(8)11(2,3)4;1-8-5-6-9(12(13,14)15)7-10(8)11(2,3)4;1-9-8-10(13-5)6-7-11(9)12(2,3)4;1-10(2,3)8-6-7(11(13,14)15)4-5-9(8)12;1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-5-6-9(12)7-10(8)11(2,3)4;1-10(2,3)8-6-7(11(13,14)15)4-5-9(8)12;1-10(2,3)8-5-4-7(6-9(8)12)11(13,14)15;1-7(2)10-4-3-9(11(12,13)14)5-8(10)6-15;1-7(2)10-5-9(11(12,13)14)4-3-8(10)6-15;1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;1-7(2)10-6-9(11(12,13)14)5-4-8(10)3;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-8-5-6-9(12)7-10(8)11(2,3)4;1-8(2)11-5-4-10(7-12)6-9(11)3;1-8(2)11-7-10(12-4)6-5-9(11)3;1-8(2)11-6-5-9(3)7-10(11)4;1-8(2)11-7-9(3)5-6-10(11)4;1-10(2,3)8-6-7(11)4-5-9(8)12;1-6(2)8-4-3-7(5-9(8)11)10(12,13)14;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;2*1-7(2)10-5-4-9(11)6-8(10)3;1-10(2,3)8-5-4-6-9(11)7-8;1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-5-7(10)3-4-9(8)11/h6-10H,1-5H3;2*5-7H,1-4H3;6-8H,1-5H3;4-6H,1-3H3;2*5-7H,1-4H3;2*4-6H,1-3H3;2*3-5,7,15H,6H2,1-2H3;3*4-7H,1-3H3;5-7H,1-4H3;4-6,8H,1-3H3;5-8H,1-4H3;2*5-8H,1-4H3;4-6H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;3-7H,1-2H3;3*4-7H,1-3H3;4-8H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeyBNTHOZMWGLTTBN-UHFFFAOYSA-N
MW5532.22 g/mol
LogP111.98
Rot. Bonds22

About 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,4-dichlorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-4-(trifluoromethyl)benzene;2-tert-butyl-1-fluoro-4-(trifluoromethyl)benzene;1-tert-butyl-4-methoxy-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);4-methoxy-1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;[2-propan-2-yl-4-(trifluoromethyl)phenyl]methanol;[2-propan-2-yl-5-(trifluoromethyl)phenyl]methanol

1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,4-dichlorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-4-(trifluoromethyl)benzene;2-tert-butyl-1-fluoro-4-(trifluoromethyl)benzene;1-tert-butyl-4-methoxy-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);4-methoxy-1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;[2-propan-2-yl-4-(trifluoromethyl)phenyl]methanol;[2-propan-2-yl-5-(trifluoromethyl)phenyl]methanol (PubChem CID 157406338) has the molecular formula C321H405Cl10F44NO4 and a molecular weight of 5532.22 g/mol. Its IUPAC name is 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,4-dichlorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-4-(trifluoromethyl)benzene;2-tert-butyl-1-fluoro-4-(trifluoromethyl)benzene;1-tert-butyl-4-methoxy-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);4-methoxy-1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;[2-propan-2-yl-4-(trifluoromethyl)phenyl]methanol;[2-propan-2-yl-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,4-dichlorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-4-(trifluoromethyl)benzene;2-tert-butyl-1-fluoro-4-(trifluoromethyl)benzene;1-tert-butyl-4-methoxy-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);4-methoxy-1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;[2-propan-2-yl-4-(trifluoromethyl)phenyl]methanol;[2-propan-2-yl-5-(trifluoromethyl)phenyl]methanol
PubChem CID157406338
Molecular FormulaC321H405Cl10F44NO4
Molecular Weight5532.22 g/mol
Exact Mass5523.77
IUPAC Name1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,4-dichlorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-4-(trifluoromethyl)benzene;2-tert-butyl-1-fluoro-4-(trifluoromethyl)benzene;1-tert-butyl-4-methoxy-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);4-methoxy-1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;[2-propan-2-yl-4-(trifluoromethyl)phenyl]methanol;[2-propan-2-yl-5-(trifluoromethyl)phenyl]methanol
SMILESCC(C)(C)c1cc(C(F)(F)F)ccc1Cl.CC(C)(C)c1cc(C(F)(F)F)ccc1F.CC(C)(C)c1cc(Cl)ccc1Cl.CC(C)(C)c1ccc(C(F)(F)F)cc1F.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1cccc(F)c1.CC(C)c1cc(C(F)(F)F)ccc1CO.CC(C)c1cc(F)ccc1F.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1CO.CC(C)c1ccc(C(F)(F)F)cc1Cl.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccccc1Cl.COc1ccc(C(C)(C)C)c(C)c1.COc1ccc(C)c(C(C)C)c1.Cc1cc(C#N)ccc1C(C)C.Cc1cc(C(F)(F)F)ccc1C(C)(C)C.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(F)(F)F)cc1C(C)(C)C.Cc1ccc(C(F)(F)F)cc1C(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(Cl)cc1C(C)(C)C.Cc1ccc(F)cc1C(C)(C)C.Cc1ccccc1C(C)C
InChIInChI=1S/C13H20.2C12H15F3.C12H18O.C11H12ClF3.2C11H15Cl.2C11H12F4.2C11H13F3O.3C11H13F3.C11H15F.C11H13N.C11H16O.2C11H16.C10H12Cl2.C10H10ClF3.C10H13Cl.C10H11F3.3C10H13F.C10H14.C9H10Cl2.C9H11Cl.C9H10F2/c1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8-7-9(12(13,14)15)5-6-10(8)11(2,3)4;1-8-5-6-9(12(13,14)15)7-10(8)11(2,3)4;1-9-8-10(13-5)6-7-11(9)12(2,3)4;1-10(2,3)8-6-7(11(13,14)15)4-5-9(8)12;1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-5-6-9(12)7-10(8)11(2,3)4;1-10(2,3)8-6-7(11(13,14)15)4-5-9(8)12;1-10(2,3)8-5-4-7(6-9(8)12)11(13,14)15;1-7(2)10-4-3-9(11(12,13)14)5-8(10)6-15;1-7(2)10-5-9(11(12,13)14)4-3-8(10)6-15;1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;1-7(2)10-6-9(11(12,13)14)5-4-8(10)3;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-8-5-6-9(12)7-10(8)11(2,3)4;1-8(2)11-5-4-10(7-12)6-9(11)3;1-8(2)11-7-10(12-4)6-5-9(11)3;1-8(2)11-6-5-9(3)7-10(11)4;1-8(2)11-7-9(3)5-6-10(11)4;1-10(2,3)8-6-7(11)4-5-9(8)12;1-6(2)8-4-3-7(5-9(8)11)10(12,13)14;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;2*1-7(2)10-5-4-9(11)6-8(10)3;1-10(2,3)8-5-4-6-9(11)7-8;1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-5-7(10)3-4-9(8)11/h6-10H,1-5H3;2*5-7H,1-4H3;6-8H,1-5H3;4-6H,1-3H3;2*5-7H,1-4H3;2*4-6H,1-3H3;2*3-5,7,15H,6H2,1-2H3;3*4-7H,1-3H3;5-7H,1-4H3;4-6,8H,1-3H3;5-8H,1-4H3;2*5-8H,1-4H3;4-6H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;3-7H,1-2H3;3*4-7H,1-3H3;4-8H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeyBNTHOZMWGLTTBN-UHFFFAOYSA-N
XLogP111.98
TPSA82.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms380
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005532.22
LogP ≤ 5111.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,4-dichlorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-4-(trifluoromethyl)benzene;2-tert-butyl-1-fluoro-4-(trifluoromethyl)benzene;1-tert-butyl-4-methoxy-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);4-methoxy-1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;[2-propan-2-yl-4-(trifluoromethyl)phenyl]methanol;[2-propan-2-yl-5-(trifluoromethyl)phenyl]methanol with MolForge

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What is the IUPAC name of 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,4-dichlorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-4-(trifluoromethyl)benzene;2-tert-butyl-1-fluoro-4-(trifluoromethyl)benzene;1-tert-butyl-4-methoxy-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);4-methoxy-1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;[2-propan-2-yl-4-(trifluoromethyl)phenyl]methanol;[2-propan-2-yl-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,4-dichlorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-4-(trifluoromethyl)benzene;2-tert-butyl-1-fluoro-4-(trifluoromethyl)benzene;1-tert-butyl-4-methoxy-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);4-methoxy-1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;[2-propan-2-yl-4-(trifluoromethyl)phenyl]methanol;[2-propan-2-yl-5-(trifluoromethyl)phenyl]methanol (CID 157406338) is 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,4-dichlorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-4-(trifluoromethyl)benzene;2-tert-butyl-1-fluoro-4-(trifluoromethyl)benzene;1-tert-butyl-4-methoxy-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);4-methoxy-1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;[2-propan-2-yl-4-(trifluoromethyl)phenyl]methanol;[2-propan-2-yl-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,4-dichlorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-4-(trifluoromethyl)benzene;2-tert-butyl-1-fluoro-4-(trifluoromethyl)benzene;1-tert-butyl-4-methoxy-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);4-methoxy-1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;[2-propan-2-yl-4-(trifluoromethyl)phenyl]methanol;[2-propan-2-yl-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,4-dichlorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-4-(trifluoromethyl)benzene;2-tert-butyl-1-fluoro-4-(trifluoromethyl)benzene;1-tert-butyl-4-methoxy-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);4-methoxy-1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;[2-propan-2-yl-4-(trifluoromethyl)phenyl]methanol;[2-propan-2-yl-5-(trifluoromethyl)phenyl]methanol is CC(C)(C)c1cc(C(F)(F)F)ccc1Cl.CC(C)(C)c1cc(C(F)(F)F)ccc1F.CC(C)(C)c1cc(Cl)ccc1Cl.CC(C)(C)c1ccc(C(F)(F)F)cc1F.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1cccc(F)c1.CC(C)c1cc(C(F)(F)F)ccc1CO.CC(C)c1cc(F)ccc1F.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1CO.CC(C)c1ccc(C(F)(F)F)cc1Cl.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccccc1Cl.COc1ccc(C(C)(C)C)c(C)c1.COc1ccc(C)c(C(C)C)c1.Cc1cc(C#N)ccc1C(C)C.Cc1cc(C(F)(F)F)ccc1C(C)(C)C.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(F)(F)F)cc1C(C)(C)C.Cc1ccc(C(F)(F)F)cc1C(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(Cl)cc1C(C)(C)C.Cc1ccc(F)cc1C(C)(C)C.Cc1ccccc1C(C)C.
What is the InChIKey of 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,4-dichlorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-4-(trifluoromethyl)benzene;2-tert-butyl-1-fluoro-4-(trifluoromethyl)benzene;1-tert-butyl-4-methoxy-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);4-methoxy-1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;[2-propan-2-yl-4-(trifluoromethyl)phenyl]methanol;[2-propan-2-yl-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is BNTHOZMWGLTTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.2C12H15F3.C12H18O.C11H12ClF3.2C11H15Cl.2C11H12F4.2C11H13F3O.3C11H13F3.C11H15F.C11H13N.C11H16O.2C11H16.C10H12Cl2.C10H10ClF3.C10H13Cl.C10H11F3.3C10H13F.C10H14.C9H10Cl2.C9H11Cl.C9H10F2/c1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8-7-9(12(13,14)15)5-6-10(8)11(2,3)4;1-8-5-6-9(12(13,14)15)7-10(8)11(2,3)4;1-9-8-10(13-5)6-7-11(9)12(2,3)4;1-10(2,3)8-6-7(11(13,14)15)4-5-9(8)12;1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-5-6-9(12)7-10(8)11(2,3)4;1-10(2,3)8-6-7(11(13,14)15)4-5-9(8)12;1-10(2,3)8-5-4-7(6-9(8)12)11(13,14)15;1-7(2)10-4-3-9(11(12,13)14)5-8(10)6-15;1-7(2)10-5-9(11(12,13)14)4-3-8(10)6-15;1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;1-7(2)10-6-9(11(12,13)14)5-4-8(10)3;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-8-5-6-9(12)7-10(8)11(2,3)4;1-8(2)11-5-4-10(7-12)6-9(11)3;1-8(2)11-7-10(12-4)6-5-9(11)3;1-8(2)11-6-5-9(3)7-10(11)4;1-8(2)11-7-9(3)5-6-10(11)4;1-10(2,3)8-6-7(11)4-5-9(8)12;1-6(2)8-4-3-7(5-9(8)11)10(12,13)14;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;2*1-7(2)10-5-4-9(11)6-8(10)3;1-10(2,3)8-5-4-6-9(11)7-8;1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-5-7(10)3-4-9(8)11/h6-10H,1-5H3;2*5-7H,1-4H3;6-8H,1-5H3;4-6H,1-3H3;2*5-7H,1-4H3;2*4-6H,1-3H3;2*3-5,7,15H,6H2,1-2H3;3*4-7H,1-3H3;5-7H,1-4H3;4-6,8H,1-3H3;5-8H,1-4H3;2*5-8H,1-4H3;4-6H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;3-7H,1-2H3;3*4-7H,1-3H3;4-8H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3.
What are the key properties of 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,4-dichlorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-4-(trifluoromethyl)benzene;2-tert-butyl-1-fluoro-4-(trifluoromethyl)benzene;1-tert-butyl-4-methoxy-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);4-methoxy-1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;[2-propan-2-yl-4-(trifluoromethyl)phenyl]methanol;[2-propan-2-yl-5-(trifluoromethyl)phenyl]methanol?
1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,4-dichlorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-4-(trifluoromethyl)benzene;2-tert-butyl-1-fluoro-4-(trifluoromethyl)benzene;1-tert-butyl-4-methoxy-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);4-methoxy-1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;[2-propan-2-yl-4-(trifluoromethyl)phenyl]methanol;[2-propan-2-yl-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 5532.22 g/mol, XLogP of 111.98, 22 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,4-dichlorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-2-fluoro-4-(trifluoromethyl)benzene;2-tert-butyl-1-fluoro-4-(trifluoromethyl)benzene;1-tert-butyl-4-methoxy-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);4-methoxy-1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;[2-propan-2-yl-4-(trifluoromethyl)phenyl]methanol;[2-propan-2-yl-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 157406338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).