1-(1-bromohexan-2-yl)-2,4-dichlorobenzene

C12H15BrCl2 — CID 141179146

IUPAC1-(1-bromohexan-2-yl)-2,4-dichlorobenzene
SMILESCCCCC(CBr)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15BrCl2/c1-2-3-4-9(8-13)11-6-5-10(14)7-12(11)15/h5-7,9H,2-4,8H2,1H3
InChIKeyKQFGGTRYXXXERS-UHFFFAOYSA-N
MW310.06 g/mol
LogP5.66
Rot. Bonds5

About 1-(1-bromohexan-2-yl)-2,4-dichlorobenzene

1-(1-bromohexan-2-yl)-2,4-dichlorobenzene (PubChem CID 141179146) has the molecular formula C12H15BrCl2 and a molecular weight of 310.06 g/mol. Its IUPAC name is 1-(1-bromohexan-2-yl)-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-(1-bromohexan-2-yl)-2,4-dichlorobenzene
PubChem CID141179146
Molecular FormulaC12H15BrCl2
Molecular Weight310.06 g/mol
Exact Mass307.97
IUPAC Name1-(1-bromohexan-2-yl)-2,4-dichlorobenzene
SMILESCCCCC(CBr)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15BrCl2/c1-2-3-4-9(8-13)11-6-5-10(14)7-12(11)15/h5-7,9H,2-4,8H2,1H3
InChIKeyKQFGGTRYXXXERS-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.06
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-1-octan-4-ylbenzene
CID 130458080
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
1-(1-bromodecyl)-2,4-dichlorobenzene
CID 65427160
(2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol
CID 147495518
1-(1-bromopent-4-en-2-yl)-2,4-dichlorobenzene
CID 141179142
1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol
CID 55200196
(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
CID 171232141
tributyl-[(2,4-dichlorophenyl)methyl]phosphanium
CID 8287
1-(2,4-dichlorophenyl)heptylhydrazine
CID 105293920
1-[1-(2,4-dichlorophenyl)pentyl]piperazine
CID 5226884
2-(2,4-dichlorophenyl)pentan-1-ol;methanesulfonic acid
CID 88843036
2-[butyl(methyl)amino]-2-(2,4-dichlorophenyl)acetonitrile
CID 84757701

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromohexan-2-yl)-2,4-dichlorobenzene?
The IUPAC name of 1-(1-bromohexan-2-yl)-2,4-dichlorobenzene (CID 141179146) is 1-(1-bromohexan-2-yl)-2,4-dichlorobenzene.
What is the SMILES notation for 1-(1-bromohexan-2-yl)-2,4-dichlorobenzene?
The canonical SMILES for 1-(1-bromohexan-2-yl)-2,4-dichlorobenzene is CCCCC(CBr)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(1-bromohexan-2-yl)-2,4-dichlorobenzene?
The InChIKey is KQFGGTRYXXXERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrCl2/c1-2-3-4-9(8-13)11-6-5-10(14)7-12(11)15/h5-7,9H,2-4,8H2,1H3.
What are the key properties of 1-(1-bromohexan-2-yl)-2,4-dichlorobenzene?
1-(1-bromohexan-2-yl)-2,4-dichlorobenzene has a molecular weight of 310.06 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromohexan-2-yl)-2,4-dichlorobenzene is sourced from PubChem (CID 141179146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).