4-bromo-2-chloro-1-(2,2-dimethylbutoxy)benzene

C12H16BrClO — CID 126752545

IUPAC4-bromo-2-chloro-1-(2,2-dimethylbutoxy)benzene
SMILESCCC(C)(C)COc1ccc(Br)cc1Cl
InChIInChI=1S/C12H16BrClO/c1-4-12(2,3)8-15-11-6-5-9(13)7-10(11)14/h5-7H,4,8H2,1-3H3
InChIKeyCKFXIQSYHBCJEP-UHFFFAOYSA-N
MW291.62 g/mol
LogP4.92
Rot. Bonds4

About 4-bromo-2-chloro-1-(2,2-dimethylbutoxy)benzene

4-bromo-2-chloro-1-(2,2-dimethylbutoxy)benzene (PubChem CID 126752545) has the molecular formula C12H16BrClO and a molecular weight of 291.62 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-(2,2-dimethylbutoxy)benzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-(2,2-dimethylbutoxy)benzene
PubChem CID126752545
Molecular FormulaC12H16BrClO
Molecular Weight291.62 g/mol
Exact Mass290.01
IUPAC Name4-bromo-2-chloro-1-(2,2-dimethylbutoxy)benzene
SMILESCCC(C)(C)COc1ccc(Br)cc1Cl
InChIInChI=1S/C12H16BrClO/c1-4-12(2,3)8-15-11-6-5-9(13)7-10(11)14/h5-7H,4,8H2,1-3H3
InChIKeyCKFXIQSYHBCJEP-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-chloro-1-[(2-methylpropan-2-yl)oxy]benzene
CID 59637134
5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine
CID 65255968
2-(4-bromo-2-chlorophenoxy)ethyl-tert-butylazanium
CID 2299633
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66336244
1-(4-bromo-2-chlorophenoxy)butan-2-ol
CID 60878201
2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine
CID 6459407
2-(4-bromo-2-chlorophenoxy)ethanol
CID 23090761
(4-bromo-2-tert-butylphenyl) 2-(4-bromo-2-chlorophenoxy)acetate
CID 17074465
2-(4-bromo-2-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79380862
(2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol
CID 106933022
4-bromo-1-(3-bromo-2,2-dimethylpropoxy)-2-propan-2-ylbenzene
CID 115401745

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-(2,2-dimethylbutoxy)benzene?
The IUPAC name of 4-bromo-2-chloro-1-(2,2-dimethylbutoxy)benzene (CID 126752545) is 4-bromo-2-chloro-1-(2,2-dimethylbutoxy)benzene.
What is the SMILES notation for 4-bromo-2-chloro-1-(2,2-dimethylbutoxy)benzene?
The canonical SMILES for 4-bromo-2-chloro-1-(2,2-dimethylbutoxy)benzene is CCC(C)(C)COc1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-1-(2,2-dimethylbutoxy)benzene?
The InChIKey is CKFXIQSYHBCJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClO/c1-4-12(2,3)8-15-11-6-5-9(13)7-10(11)14/h5-7H,4,8H2,1-3H3.
What are the key properties of 4-bromo-2-chloro-1-(2,2-dimethylbutoxy)benzene?
4-bromo-2-chloro-1-(2,2-dimethylbutoxy)benzene has a molecular weight of 291.62 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-(2,2-dimethylbutoxy)benzene is sourced from PubChem (CID 126752545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).