5-bromo-2-tert-butyl-1-methyl-3-propan-2-ylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-1,5-dichloro-3-methylbenzene;2-tert-butyl-1,5-dimethyl-3-propan-2-ylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;1,5-dibromo-2-tert-butyl-3-methylbenzene

C96H135Br3Cl3F3 — CID 159829532

IUPAC5-bromo-2-tert-butyl-1-methyl-3-propan-2-ylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-1,5-dichloro-3-methylbenzene;2-tert-butyl-1,5-dimethyl-3-propan-2-ylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;1,5-dibromo-2-tert-butyl-3-methylbenzene
SMILESCc1cc(Br)cc(Br)c1C(C)(C)C.Cc1cc(Br)cc(C(C)C)c1C(C)(C)C.Cc1cc(C(C)(C)C)cc(C(F)(F)F)c1.Cc1cc(C)c(C(C)(C)C)c(C(C)C)c1.Cc1cc(Cl)cc(Cl)c1C(C)(C)C.Cc1cccc(Cl)c1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C15H24.C14H21Br.C12H15F3.C11H14Br2.C11H14Cl2.C11H15Cl.2C11H16/c1-10(2)13-9-11(3)8-12(4)14(13)15(5,6)7;1-9(2)12-8-11(15)7-10(3)13(12)14(4,5)6;1-8-5-9(11(2,3)4)7-10(6-8)12(13,14)15;2*1-7-5-8(12)6-9(13)10(7)11(2,3)4;1-8-6-5-7-9(12)10(8)11(2,3)4;2*1-9-7-5-6-8-10(9)11(2,3)4/h8-10H,1-7H3;7-9H,1-6H3;5-7H,1-4H3;2*5-6H,1-4H3;5-7H,1-4H3;2*5-8H,1-4H3
InChIKeyNNGZCABZSHQKSZ-UHFFFAOYSA-N
MW1692.20 g/mol
LogP34.16
Rot. Bonds2

About 5-bromo-2-tert-butyl-1-methyl-3-propan-2-ylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-1,5-dichloro-3-methylbenzene;2-tert-butyl-1,5-dimethyl-3-propan-2-ylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;1,5-dibromo-2-tert-butyl-3-methylbenzene

5-bromo-2-tert-butyl-1-methyl-3-propan-2-ylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-1,5-dichloro-3-methylbenzene;2-tert-butyl-1,5-dimethyl-3-propan-2-ylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;1,5-dibromo-2-tert-butyl-3-methylbenzene (PubChem CID 159829532) has the molecular formula C96H135Br3Cl3F3 and a molecular weight of 1692.20 g/mol. Its IUPAC name is 5-bromo-2-tert-butyl-1-methyl-3-propan-2-ylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-1,5-dichloro-3-methylbenzene;2-tert-butyl-1,5-dimethyl-3-propan-2-ylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;1,5-dibromo-2-tert-butyl-3-methylbenzene.

Molecular Properties

Compound Name5-bromo-2-tert-butyl-1-methyl-3-propan-2-ylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-1,5-dichloro-3-methylbenzene;2-tert-butyl-1,5-dimethyl-3-propan-2-ylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;1,5-dibromo-2-tert-butyl-3-methylbenzene
PubChem CID159829532
Molecular FormulaC96H135Br3Cl3F3
Molecular Weight1692.20 g/mol
Exact Mass1686.71
IUPAC Name5-bromo-2-tert-butyl-1-methyl-3-propan-2-ylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-1,5-dichloro-3-methylbenzene;2-tert-butyl-1,5-dimethyl-3-propan-2-ylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;1,5-dibromo-2-tert-butyl-3-methylbenzene
SMILESCc1cc(Br)cc(Br)c1C(C)(C)C.Cc1cc(Br)cc(C(C)C)c1C(C)(C)C.Cc1cc(C(C)(C)C)cc(C(F)(F)F)c1.Cc1cc(C)c(C(C)(C)C)c(C(C)C)c1.Cc1cc(Cl)cc(Cl)c1C(C)(C)C.Cc1cccc(Cl)c1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C15H24.C14H21Br.C12H15F3.C11H14Br2.C11H14Cl2.C11H15Cl.2C11H16/c1-10(2)13-9-11(3)8-12(4)14(13)15(5,6)7;1-9(2)12-8-11(15)7-10(3)13(12)14(4,5)6;1-8-5-9(11(2,3)4)7-10(6-8)12(13,14)15;2*1-7-5-8(12)6-9(13)10(7)11(2,3)4;1-8-6-5-7-9(12)10(8)11(2,3)4;2*1-9-7-5-6-8-10(9)11(2,3)4/h8-10H,1-7H3;7-9H,1-6H3;5-7H,1-4H3;2*5-6H,1-4H3;5-7H,1-4H3;2*5-8H,1-4H3
InChIKeyNNGZCABZSHQKSZ-UHFFFAOYSA-N
XLogP34.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001692.20
LogP ≤ 534.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-bromo-2-tert-butyl-1-methyl-3-propan-2-ylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-1,5-dichloro-3-methylbenzene;2-tert-butyl-1,5-dimethyl-3-propan-2-ylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;1,5-dibromo-2-tert-butyl-3-methylbenzene with MolForge

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Related Compounds

2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-2-methylbenzene;methane
CID 162057738
2-tert-butyl-1,3-diethylbenzene;2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,3-di(propan-2-yl)benzene;2-tert-butyl-1-fluoro-3-methylbenzene;1-tert-butyl-2-methylbenzene;2-tert-butyl-1-methyl-3-propan-2-ylbenzene;2-tert-butyl-1,3,5-trimethylbenzene
CID 160715445
1-tert-butyladamantane;2-tert-butyl-1,3-dichlorobenzene;1-tert-butyl-3,5-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,3-di(propan-2-yl)benzene;1-tert-butyl-2,3,4,5,6-pentafluorobenzene;1-tert-butyl-2-(trifluoromethyl)benzene;1,2-ditert-butylbenzene;2,2,3,3-tetramethylbutane
CID 157150445
1-tert-butyl-2,4-bis(trifluoromethyl)benzene;1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;2-tert-butyl-1,3-dichlorobenzene;1-tert-butyl-2,3-dimethoxybenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-2-methoxybenzene
CID 158848030
2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,3-dimethyl-5-(trideuteriomethyl)benzene;1-tert-butyl-2-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,2-ditert-butyl-3-(2-deuteriopropan-2-yl)benzene
CID 159013100
1-bromo-2,3-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-tert-butyl-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);1,2-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2,3-dimethylbenzene);4-methoxy-1,2-dimethylbenzene;1,2,3,5-tetramethylbenzene;bis(1,2,3-trimethylbenzene);1,2,4-trimethylbenzene;tris(1,2-xylene)
CID 158206013
2-tert-butyl-1,3-dichlorobenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;methane
CID 157262280
1,5-dichloro-3-methyl-2-(trifluoromethyl)benzene
CID 59146247
2-tert-butyl-1-chloro-3-methyl-5-propan-2-ylbenzene
CID 139403950
2-tert-butyl-5-chloro-1,3-di(propan-2-yl)benzene
CID 135252077
1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1,3-ditert-butyl-2-methylbenzene;1,3-ditert-butyl-5-methylbenzene;1-methyl-3,5-di(propan-2-yl)benzene;2-methyl-1,3-di(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,3,5-trimethylbenzene
CID 161417547
1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride
CID 175251284

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-tert-butyl-1-methyl-3-propan-2-ylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-1,5-dichloro-3-methylbenzene;2-tert-butyl-1,5-dimethyl-3-propan-2-ylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;1,5-dibromo-2-tert-butyl-3-methylbenzene?
The IUPAC name of 5-bromo-2-tert-butyl-1-methyl-3-propan-2-ylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-1,5-dichloro-3-methylbenzene;2-tert-butyl-1,5-dimethyl-3-propan-2-ylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;1,5-dibromo-2-tert-butyl-3-methylbenzene (CID 159829532) is 5-bromo-2-tert-butyl-1-methyl-3-propan-2-ylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-1,5-dichloro-3-methylbenzene;2-tert-butyl-1,5-dimethyl-3-propan-2-ylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;1,5-dibromo-2-tert-butyl-3-methylbenzene.
What is the SMILES notation for 5-bromo-2-tert-butyl-1-methyl-3-propan-2-ylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-1,5-dichloro-3-methylbenzene;2-tert-butyl-1,5-dimethyl-3-propan-2-ylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;1,5-dibromo-2-tert-butyl-3-methylbenzene?
The canonical SMILES for 5-bromo-2-tert-butyl-1-methyl-3-propan-2-ylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-1,5-dichloro-3-methylbenzene;2-tert-butyl-1,5-dimethyl-3-propan-2-ylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;1,5-dibromo-2-tert-butyl-3-methylbenzene is Cc1cc(Br)cc(Br)c1C(C)(C)C.Cc1cc(Br)cc(C(C)C)c1C(C)(C)C.Cc1cc(C(C)(C)C)cc(C(F)(F)F)c1.Cc1cc(C)c(C(C)(C)C)c(C(C)C)c1.Cc1cc(Cl)cc(Cl)c1C(C)(C)C.Cc1cccc(Cl)c1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.
What is the InChIKey of 5-bromo-2-tert-butyl-1-methyl-3-propan-2-ylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-1,5-dichloro-3-methylbenzene;2-tert-butyl-1,5-dimethyl-3-propan-2-ylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;1,5-dibromo-2-tert-butyl-3-methylbenzene?
The InChIKey is NNGZCABZSHQKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.C14H21Br.C12H15F3.C11H14Br2.C11H14Cl2.C11H15Cl.2C11H16/c1-10(2)13-9-11(3)8-12(4)14(13)15(5,6)7;1-9(2)12-8-11(15)7-10(3)13(12)14(4,5)6;1-8-5-9(11(2,3)4)7-10(6-8)12(13,14)15;2*1-7-5-8(12)6-9(13)10(7)11(2,3)4;1-8-6-5-7-9(12)10(8)11(2,3)4;2*1-9-7-5-6-8-10(9)11(2,3)4/h8-10H,1-7H3;7-9H,1-6H3;5-7H,1-4H3;2*5-6H,1-4H3;5-7H,1-4H3;2*5-8H,1-4H3.
What are the key properties of 5-bromo-2-tert-butyl-1-methyl-3-propan-2-ylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-1,5-dichloro-3-methylbenzene;2-tert-butyl-1,5-dimethyl-3-propan-2-ylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;1,5-dibromo-2-tert-butyl-3-methylbenzene?
5-bromo-2-tert-butyl-1-methyl-3-propan-2-ylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-1,5-dichloro-3-methylbenzene;2-tert-butyl-1,5-dimethyl-3-propan-2-ylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;1,5-dibromo-2-tert-butyl-3-methylbenzene has a molecular weight of 1692.20 g/mol, XLogP of 34.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-tert-butyl-1-methyl-3-propan-2-ylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-1,5-dichloro-3-methylbenzene;2-tert-butyl-1,5-dimethyl-3-propan-2-ylbenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;1,5-dibromo-2-tert-butyl-3-methylbenzene is sourced from PubChem (CID 159829532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).