1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene

C14H10Br4O2 — CID 59907339

IUPAC1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene
SMILESBrc1ccc(OCCOc2cc(Br)ccc2Br)c(Br)c1
InChIInChI=1S/C14H10Br4O2/c15-9-2-4-13(12(18)7-9)19-5-6-20-14-8-10(16)1-3-11(14)17/h1-4,7-8H,5-6H2
InChIKeySAZZBOHPHPPCBD-UHFFFAOYSA-N
MW529.85 g/mol
LogP6.19
Rot. Bonds5

About 1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene

1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene (PubChem CID 59907339) has the molecular formula C14H10Br4O2 and a molecular weight of 529.85 g/mol. Its IUPAC name is 1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene.

Molecular Properties

Compound Name1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene
PubChem CID59907339
Molecular FormulaC14H10Br4O2
Molecular Weight529.85 g/mol
Exact Mass525.74
IUPAC Name1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene
SMILESBrc1ccc(OCCOc2cc(Br)ccc2Br)c(Br)c1
InChIInChI=1S/C14H10Br4O2/c15-9-2-4-13(12(18)7-9)19-5-6-20-14-8-10(16)1-3-11(14)17/h1-4,7-8H,5-6H2
InChIKeySAZZBOHPHPPCBD-UHFFFAOYSA-N
XLogP6.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.85
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-dibromo-2-butoxybenzene
CID 69260452
2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 53338792
2,4-dibromo-1-[3-(4-bromophenoxy)propoxy]benzene
CID 59330867
2,4-dibromo-1-(5-chloropentoxy)benzene
CID 64718438
1,4-dibromo-2-(2,4-dibromophenoxy)benzene
CID 15509892
2,4-dibromo-1-heptoxybenzene
CID 101293515
2,4-dibromo-1-octoxybenzene
CID 101293529
[2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine
CID 64718432
1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene
CID 59330950
N-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine
CID 62597711
2,4-dibromo-1-[3-(4-chlorophenoxy)propoxy]benzene
CID 59330882
1,4-dibromo-2-(2,5-dibromophenoxy)benzene
CID 19792406

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene?
The IUPAC name of 1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene (CID 59907339) is 1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene.
What is the SMILES notation for 1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene?
The canonical SMILES for 1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene is Brc1ccc(OCCOc2cc(Br)ccc2Br)c(Br)c1.
What is the InChIKey of 1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene?
The InChIKey is SAZZBOHPHPPCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br4O2/c15-9-2-4-13(12(18)7-9)19-5-6-20-14-8-10(16)1-3-11(14)17/h1-4,7-8H,5-6H2.
What are the key properties of 1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene?
1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene has a molecular weight of 529.85 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene is sourced from PubChem (CID 59907339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).