2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene

C13H8Br4O — CID 114062644

IUPAC2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene
SMILESBrCc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1
InChIInChI=1S/C13H8Br4O/c14-7-8-1-3-12(10(16)5-8)18-13-4-2-9(15)6-11(13)17/h1-6H,7H2
InChIKeyUZDKGOQOZVWEIA-UHFFFAOYSA-N
MW499.82 g/mol
LogP6.66
Rot. Bonds3

About 2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene

2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene (PubChem CID 114062644) has the molecular formula C13H8Br4O and a molecular weight of 499.82 g/mol. Its IUPAC name is 2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene.

Molecular Properties

Compound Name2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene
PubChem CID114062644
Molecular FormulaC13H8Br4O
Molecular Weight499.82 g/mol
Exact Mass495.73
IUPAC Name2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene
SMILESBrCc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1
InChIInChI=1S/C13H8Br4O/c14-7-8-1-3-12(10(16)5-8)18-13-4-2-9(15)6-11(13)17/h1-6H,7H2
InChIKeyUZDKGOQOZVWEIA-UHFFFAOYSA-N
XLogP6.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.82
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-dibromo-2-(2,4-dibromophenoxy)benzene
CID 15509892
[4-(2,4-dibromophenoxy)phenyl]methanol
CID 64720453
[4-(2,4-dibromophenoxy)-3-fluorophenyl]methanol
CID 64720660
2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene
CID 64720664
1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene
CID 107089318
3-[2-bromo-4-(bromomethyl)phenoxy]-2-ethyl-6-methylpyridine
CID 114062657
2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene
CID 114061645
1-[4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine
CID 64720895
1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene
CID 107089323
1,4-dibromo-2-[4-(bromomethyl)-2-chlorophenoxy]-5-methoxybenzene
CID 107088808
1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene
CID 86208553
2-bromo-1-[4-(bromomethyl)phenoxy]-4-methylbenzene
CID 107087378

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene?
The IUPAC name of 2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene (CID 114062644) is 2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene.
What is the SMILES notation for 2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene?
The canonical SMILES for 2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene is BrCc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1.
What is the InChIKey of 2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene?
The InChIKey is UZDKGOQOZVWEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br4O/c14-7-8-1-3-12(10(16)5-8)18-13-4-2-9(15)6-11(13)17/h1-6H,7H2.
What are the key properties of 2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene?
2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene has a molecular weight of 499.82 g/mol, XLogP of 6.66, 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-bromo-4-(bromomethyl)phenoxy]benzene is sourced from PubChem (CID 114062644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).