2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-2-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;bis(2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene);1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1,4-dichloro-2-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-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;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

C230H286Cl9F33O2 — CID 159003997

IUPAC2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-2-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;bis(2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene);1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1,4-dichloro-2-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-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;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
SMILESCC(C)(C)c1cc(C(F)(F)F)ccc1Cl.CC(C)(C)c1ccc(C(F)(F)F)cc1Cl.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(Cl)ccc1Cl.CC(C)c1cc(F)ccc1F.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccccc1Cl.COc1ccc(C)c(C(C)C)c1.Cc1cc(C(F)(F)F)ccc1C(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)C.Cc1ccc(C(F)(F)F)cc1C(C)C.Cc1ccc(Cl)cc1C(C)(C)C.Cc1ccc(F)cc1C(C)(C)C.Cc1ccccc1C(C)C
InChIInChI=1S/2C12H15F3.2C11H12ClF3.C11H15Cl.C11H13F3O.3C11H13F3.C11H15F.C11H16O.C11H16.C10H13Cl.C10H11F3.3C10H13F.C10H14.2C9H10Cl2.C9H11Cl.C9H10F2/c2*1-8-5-6-9(12(13,14)15)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;1-8-5-6-9(12)7-10(8)11(2,3)4;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)11-7-10(12-4)6-5-9(11)3;1-8(2)11-6-5-9(3)7-10(11)4;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)8-5-7(10)3-4-9(8)11;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/h2*5-7H,1-4H3;2*4-6H,1-3H3;5-7H,1-4H3;3-5,7,15H,6H2,1-2H3;3*4-7H,1-3H3;5-7H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;3-7H,1-2H3;3*4-7H,1-3H3;4-8H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeyJRRNCMSTQWLYMT-UHFFFAOYSA-N
MW4028.83 g/mol
LogP82.61
Rot. Bonds16

About 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-2-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;bis(2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene);1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1,4-dichloro-2-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-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;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-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-2-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;bis(2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene);1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1,4-dichloro-2-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-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;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 (PubChem CID 159003997) has the molecular formula C230H286Cl9F33O2 and a molecular weight of 4028.83 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-2-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;bis(2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene);1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1,4-dichloro-2-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-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;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.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-2-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;bis(2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene);1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1,4-dichloro-2-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-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;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
PubChem CID159003997
Molecular FormulaC230H286Cl9F33O2
Molecular Weight4028.83 g/mol
Exact Mass4021.89
IUPAC Name2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-2-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;bis(2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene);1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1,4-dichloro-2-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-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;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
SMILESCC(C)(C)c1cc(C(F)(F)F)ccc1Cl.CC(C)(C)c1ccc(C(F)(F)F)cc1Cl.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(Cl)ccc1Cl.CC(C)c1cc(F)ccc1F.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccccc1Cl.COc1ccc(C)c(C(C)C)c1.Cc1cc(C(F)(F)F)ccc1C(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)C.Cc1ccc(C(F)(F)F)cc1C(C)C.Cc1ccc(Cl)cc1C(C)(C)C.Cc1ccc(F)cc1C(C)(C)C.Cc1ccccc1C(C)C
InChIInChI=1S/2C12H15F3.2C11H12ClF3.C11H15Cl.C11H13F3O.3C11H13F3.C11H15F.C11H16O.C11H16.C10H13Cl.C10H11F3.3C10H13F.C10H14.2C9H10Cl2.C9H11Cl.C9H10F2/c2*1-8-5-6-9(12(13,14)15)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;1-8-5-6-9(12)7-10(8)11(2,3)4;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)11-7-10(12-4)6-5-9(11)3;1-8(2)11-6-5-9(3)7-10(11)4;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)8-5-7(10)3-4-9(8)11;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/h2*5-7H,1-4H3;2*4-6H,1-3H3;5-7H,1-4H3;3-5,7,15H,6H2,1-2H3;3*4-7H,1-3H3;5-7H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;3-7H,1-2H3;3*4-7H,1-3H3;4-8H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeyJRRNCMSTQWLYMT-UHFFFAOYSA-N
XLogP82.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms274
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004028.83
LogP ≤ 582.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-2-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;bis(2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene);1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1,4-dichloro-2-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-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;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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-2-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;bis(2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene);1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1,4-dichloro-2-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-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;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?
The IUPAC name of 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-2-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;bis(2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene);1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1,4-dichloro-2-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-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;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 (CID 159003997) is 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-2-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;bis(2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene);1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1,4-dichloro-2-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-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;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.
What is the SMILES notation for 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-2-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;bis(2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene);1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1,4-dichloro-2-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-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;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?
The canonical SMILES for 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-2-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;bis(2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene);1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1,4-dichloro-2-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-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;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 is CC(C)(C)c1cc(C(F)(F)F)ccc1Cl.CC(C)(C)c1ccc(C(F)(F)F)cc1Cl.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(Cl)ccc1Cl.CC(C)c1cc(F)ccc1F.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccccc1Cl.COc1ccc(C)c(C(C)C)c1.Cc1cc(C(F)(F)F)ccc1C(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)C.Cc1ccc(C(F)(F)F)cc1C(C)C.Cc1ccc(Cl)cc1C(C)(C)C.Cc1ccc(F)cc1C(C)(C)C.Cc1ccccc1C(C)C.
What is the InChIKey of 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-2-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;bis(2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene);1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1,4-dichloro-2-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-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;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?
The InChIKey is JRRNCMSTQWLYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15F3.2C11H12ClF3.C11H15Cl.C11H13F3O.3C11H13F3.C11H15F.C11H16O.C11H16.C10H13Cl.C10H11F3.3C10H13F.C10H14.2C9H10Cl2.C9H11Cl.C9H10F2/c2*1-8-5-6-9(12(13,14)15)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;1-8-5-6-9(12)7-10(8)11(2,3)4;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)11-7-10(12-4)6-5-9(11)3;1-8(2)11-6-5-9(3)7-10(11)4;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)8-5-7(10)3-4-9(8)11;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/h2*5-7H,1-4H3;2*4-6H,1-3H3;5-7H,1-4H3;3-5,7,15H,6H2,1-2H3;3*4-7H,1-3H3;5-7H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;3-7H,1-2H3;3*4-7H,1-3H3;4-8H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3.
What are the key properties of 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-2-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;bis(2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene);1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1,4-dichloro-2-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-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;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-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-2-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;bis(2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene);1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1,4-dichloro-2-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-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;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 has a molecular weight of 4028.83 g/mol, XLogP of 82.61, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-2-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;bis(2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene);1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1,4-dichloro-2-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-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;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 is sourced from PubChem (CID 159003997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).