1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tetrakis(2,4-dimethyl-1-propan-2-ylbenzene);tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene

C193H262Cl6F9NO3 — CID 159030803

IUPAC1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tetrakis(2,4-dimethyl-1-propan-2-ylbenzene);tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1C1CC1.COc1cc(C)ccc1C(C)C.COc1cc(C)ccc1C(C)C.COc1cc(C)ccc1C(C)C.Cc1ccc(C(C)C)c(C(F)(F)F)c1.Cc1ccc(C(C)C)c(C(F)(F)F)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)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(Cl)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1cnc(C(C)C)c(Cl)c1
InChIInChI=1S/C13H20.C12H16.2C11H13F3.3C11H16O.4C11H16.5C10H13Cl.C10H11F3.C9H12ClN/c1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-9(2)11-5-3-4-6-12(11)10-7-8-10;2*1-7(2)9-5-4-8(3)6-10(9)11(12,13)14;3*1-8(2)10-6-5-9(3)7-11(10)12-4;4*1-8(2)11-6-5-9(3)7-10(11)4;5*1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-6(2)9-8(10)4-7(3)5-11-9/h6-10H,1-5H3;3-6,9-10H,7-8H2,1-2H3;2*4-7H,1-3H3;3*5-8H,1-4H3;4*5-8H,1-4H3;5*4-7H,1-3H3;3-7H,1-2H3;4-6H,1-3H3
InChIKeyJUVYFUHXYHTWQW-UHFFFAOYSA-N
MW3027.92 g/mol
LogP65.01
Rot. Bonds22

About 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tetrakis(2,4-dimethyl-1-propan-2-ylbenzene);tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene

1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tetrakis(2,4-dimethyl-1-propan-2-ylbenzene);tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene (PubChem CID 159030803) has the molecular formula C193H262Cl6F9NO3 and a molecular weight of 3027.92 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tetrakis(2,4-dimethyl-1-propan-2-ylbenzene);tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tetrakis(2,4-dimethyl-1-propan-2-ylbenzene);tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene
PubChem CID159030803
Molecular FormulaC193H262Cl6F9NO3
Molecular Weight3027.92 g/mol
Exact Mass3022.84
IUPAC Name1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tetrakis(2,4-dimethyl-1-propan-2-ylbenzene);tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1C1CC1.COc1cc(C)ccc1C(C)C.COc1cc(C)ccc1C(C)C.COc1cc(C)ccc1C(C)C.Cc1ccc(C(C)C)c(C(F)(F)F)c1.Cc1ccc(C(C)C)c(C(F)(F)F)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)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(Cl)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1cnc(C(C)C)c(Cl)c1
InChIInChI=1S/C13H20.C12H16.2C11H13F3.3C11H16O.4C11H16.5C10H13Cl.C10H11F3.C9H12ClN/c1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-9(2)11-5-3-4-6-12(11)10-7-8-10;2*1-7(2)9-5-4-8(3)6-10(9)11(12,13)14;3*1-8(2)10-6-5-9(3)7-11(10)12-4;4*1-8(2)11-6-5-9(3)7-10(11)4;5*1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-6(2)9-8(10)4-7(3)5-11-9/h6-10H,1-5H3;3-6,9-10H,7-8H2,1-2H3;2*4-7H,1-3H3;3*5-8H,1-4H3;4*5-8H,1-4H3;5*4-7H,1-3H3;3-7H,1-2H3;4-6H,1-3H3
InChIKeyJUVYFUHXYHTWQW-UHFFFAOYSA-N
XLogP65.01
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms212
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003027.92
LogP ≤ 565.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tetrakis(2,4-dimethyl-1-propan-2-ylbenzene);tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tetrakis(2,4-dimethyl-1-propan-2-ylbenzene);tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tetrakis(2,4-dimethyl-1-propan-2-ylbenzene);tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene (CID 159030803) is 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tetrakis(2,4-dimethyl-1-propan-2-ylbenzene);tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tetrakis(2,4-dimethyl-1-propan-2-ylbenzene);tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tetrakis(2,4-dimethyl-1-propan-2-ylbenzene);tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene is CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1C1CC1.COc1cc(C)ccc1C(C)C.COc1cc(C)ccc1C(C)C.COc1cc(C)ccc1C(C)C.Cc1ccc(C(C)C)c(C(F)(F)F)c1.Cc1ccc(C(C)C)c(C(F)(F)F)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)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(Cl)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1cnc(C(C)C)c(Cl)c1.
What is the InChIKey of 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tetrakis(2,4-dimethyl-1-propan-2-ylbenzene);tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene?
The InChIKey is JUVYFUHXYHTWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C12H16.2C11H13F3.3C11H16O.4C11H16.5C10H13Cl.C10H11F3.C9H12ClN/c1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-9(2)11-5-3-4-6-12(11)10-7-8-10;2*1-7(2)9-5-4-8(3)6-10(9)11(12,13)14;3*1-8(2)10-6-5-9(3)7-11(10)12-4;4*1-8(2)11-6-5-9(3)7-10(11)4;5*1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-6(2)9-8(10)4-7(3)5-11-9/h6-10H,1-5H3;3-6,9-10H,7-8H2,1-2H3;2*4-7H,1-3H3;3*5-8H,1-4H3;4*5-8H,1-4H3;5*4-7H,1-3H3;3-7H,1-2H3;4-6H,1-3H3.
What are the key properties of 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tetrakis(2,4-dimethyl-1-propan-2-ylbenzene);tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene?
1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tetrakis(2,4-dimethyl-1-propan-2-ylbenzene);tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene has a molecular weight of 3027.92 g/mol, XLogP of 65.01, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propan-2-ylbenzene;pentakis(2-chloro-4-methyl-1-propan-2-ylbenzene);3-chloro-5-methyl-2-propan-2-ylpyridine;1-cyclopropyl-2-propan-2-ylbenzene;tetrakis(2,4-dimethyl-1-propan-2-ylbenzene);tris(2-methoxy-4-methyl-1-propan-2-ylbenzene);bis(4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 159030803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).