2,4-dibromo-1-(2,6-dimethyloctoxy)benzene

C16H24Br2O — CID 139967544

IUPAC2,4-dibromo-1-(2,6-dimethyloctoxy)benzene
SMILESCCC(C)CCCC(C)COc1ccc(Br)cc1Br
InChIInChI=1S/C16H24Br2O/c1-4-12(2)6-5-7-13(3)11-19-16-9-8-14(17)10-15(16)18/h8-10,12-13H,4-7,11H2,1-3H3
InChIKeyUDEQSBWBQAZSFO-UHFFFAOYSA-N
MW392.18 g/mol
LogP6.44
Rot. Bonds8

About 2,4-dibromo-1-(2,6-dimethyloctoxy)benzene

2,4-dibromo-1-(2,6-dimethyloctoxy)benzene (PubChem CID 139967544) has the molecular formula C16H24Br2O and a molecular weight of 392.18 g/mol. Its IUPAC name is 2,4-dibromo-1-(2,6-dimethyloctoxy)benzene.

Molecular Properties

Compound Name2,4-dibromo-1-(2,6-dimethyloctoxy)benzene
PubChem CID139967544
Molecular FormulaC16H24Br2O
Molecular Weight392.18 g/mol
Exact Mass390.02
IUPAC Name2,4-dibromo-1-(2,6-dimethyloctoxy)benzene
SMILESCCC(C)CCCC(C)COc1ccc(Br)cc1Br
InChIInChI=1S/C16H24Br2O/c1-4-12(2)6-5-7-13(3)11-19-16-9-8-14(17)10-15(16)18/h8-10,12-13H,4-7,11H2,1-3H3
InChIKeyUDEQSBWBQAZSFO-UHFFFAOYSA-N
XLogP6.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.18
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-1-methyl-2-(2-methylbutoxy)benzene
CID 107283947
3-(2,4-dibromophenoxy)-2-methylpropanoic acid
CID 43538016
4-bromo-2-[(5-bromo-2-methoxyphenyl)methyl]-1-[(2S)-2-methylbutoxy]benzene
CID 139605000
4-bromo-1-(3-bromo-2-methylpropoxy)-2-methylbenzene
CID 64995954
2-bromo-1-(3-bromo-2-methylpropoxy)-4-methylbenzene
CID 64996070
N-[[3-bromo-4-(2-methylbutoxy)phenyl]methyl]ethanamine
CID 63047238
2,4-dibromo-1-heptoxybenzene
CID 101293515
1-bromo-4-[(4S)-4-methylhexoxy]benzene
CID 14692508
2,4-dibromo-1-octoxybenzene
CID 101293529
2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine
CID 62264353
4-bromo-2-methyl-1-(2-methylpropoxy)benzene
CID 63529292
1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol
CID 16877055

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-(2,6-dimethyloctoxy)benzene?
The IUPAC name of 2,4-dibromo-1-(2,6-dimethyloctoxy)benzene (CID 139967544) is 2,4-dibromo-1-(2,6-dimethyloctoxy)benzene.
What is the SMILES notation for 2,4-dibromo-1-(2,6-dimethyloctoxy)benzene?
The canonical SMILES for 2,4-dibromo-1-(2,6-dimethyloctoxy)benzene is CCC(C)CCCC(C)COc1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-1-(2,6-dimethyloctoxy)benzene?
The InChIKey is UDEQSBWBQAZSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Br2O/c1-4-12(2)6-5-7-13(3)11-19-16-9-8-14(17)10-15(16)18/h8-10,12-13H,4-7,11H2,1-3H3.
What are the key properties of 2,4-dibromo-1-(2,6-dimethyloctoxy)benzene?
2,4-dibromo-1-(2,6-dimethyloctoxy)benzene has a molecular weight of 392.18 g/mol, XLogP of 6.44, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-(2,6-dimethyloctoxy)benzene is sourced from PubChem (CID 139967544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).