2,4-dibromo-1-(2-bromoethoxy)benzene

C8H7Br3O — CID 12725188

IUPAC2,4-dibromo-1-(2-bromoethoxy)benzene
SMILESBrCCOc1ccc(Br)cc1Br
InChIInChI=1S/C8H7Br3O/c9-3-4-12-8-2-1-6(10)5-7(8)11/h1-2,5H,3-4H2
InChIKeyZJAWXCGAPUYTAZ-UHFFFAOYSA-N
MW358.86 g/mol
LogP3.99
Rot. Bonds3

About 2,4-dibromo-1-(2-bromoethoxy)benzene

2,4-dibromo-1-(2-bromoethoxy)benzene (PubChem CID 12725188) has the molecular formula C8H7Br3O and a molecular weight of 358.86 g/mol. Its IUPAC name is 2,4-dibromo-1-(2-bromoethoxy)benzene.

Molecular Properties

Compound Name2,4-dibromo-1-(2-bromoethoxy)benzene
PubChem CID12725188
Molecular FormulaC8H7Br3O
Molecular Weight358.86 g/mol
Exact Mass355.80
IUPAC Name2,4-dibromo-1-(2-bromoethoxy)benzene
SMILESBrCCOc1ccc(Br)cc1Br
InChIInChI=1S/C8H7Br3O/c9-3-4-12-8-2-1-6(10)5-7(8)11/h1-2,5H,3-4H2
InChIKeyZJAWXCGAPUYTAZ-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.86
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-(2-bromoethoxy)benzene?
The IUPAC name of 2,4-dibromo-1-(2-bromoethoxy)benzene (CID 12725188) is 2,4-dibromo-1-(2-bromoethoxy)benzene.
What is the SMILES notation for 2,4-dibromo-1-(2-bromoethoxy)benzene?
The canonical SMILES for 2,4-dibromo-1-(2-bromoethoxy)benzene is BrCCOc1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-1-(2-bromoethoxy)benzene?
The InChIKey is ZJAWXCGAPUYTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br3O/c9-3-4-12-8-2-1-6(10)5-7(8)11/h1-2,5H,3-4H2.
What are the key properties of 2,4-dibromo-1-(2-bromoethoxy)benzene?
2,4-dibromo-1-(2-bromoethoxy)benzene has a molecular weight of 358.86 g/mol, XLogP of 3.99, 3 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-bromoethoxy)benzene is sourced from PubChem (CID 12725188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).