1,3,5-tribromo-2-[1-(2,4,6-tribromophenoxy)ethenoxy]benzene

C14H6Br6O2 — CID 138377093

IUPAC1,3,5-tribromo-2-[1-(2,4,6-tribromophenoxy)ethenoxy]benzene
SMILESC=C(Oc1c(Br)cc(Br)cc1Br)Oc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H6Br6O2/c1-6(21-13-9(17)2-7(15)3-10(13)18)22-14-11(19)4-8(16)5-12(14)20/h2-5H,1H2
InChIKeyGXUKYLWAEHDYSR-UHFFFAOYSA-N
MW685.62 g/mol
LogP8.19
Rot. Bonds4

About 1,3,5-tribromo-2-[1-(2,4,6-tribromophenoxy)ethenoxy]benzene

1,3,5-tribromo-2-[1-(2,4,6-tribromophenoxy)ethenoxy]benzene (PubChem CID 138377093) has the molecular formula C14H6Br6O2 and a molecular weight of 685.62 g/mol. Its IUPAC name is 1,3,5-tribromo-2-[1-(2,4,6-tribromophenoxy)ethenoxy]benzene.

Molecular Properties

Compound Name1,3,5-tribromo-2-[1-(2,4,6-tribromophenoxy)ethenoxy]benzene
PubChem CID138377093
Molecular FormulaC14H6Br6O2
Molecular Weight685.62 g/mol
Exact Mass679.55
IUPAC Name1,3,5-tribromo-2-[1-(2,4,6-tribromophenoxy)ethenoxy]benzene
SMILESC=C(Oc1c(Br)cc(Br)cc1Br)Oc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H6Br6O2/c1-6(21-13-9(17)2-7(15)3-10(13)18)22-14-11(19)4-8(16)5-12(14)20/h2-5H,1H2
InChIKeyGXUKYLWAEHDYSR-UHFFFAOYSA-N
XLogP8.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.62
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1,3,5-tribromo-2-[1-(2,4,6-tribromophenoxy)ethenoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tribromo-2-[1-(2,4,6-tribromophenoxy)ethenoxy]benzene?
The IUPAC name of 1,3,5-tribromo-2-[1-(2,4,6-tribromophenoxy)ethenoxy]benzene (CID 138377093) is 1,3,5-tribromo-2-[1-(2,4,6-tribromophenoxy)ethenoxy]benzene.
What is the SMILES notation for 1,3,5-tribromo-2-[1-(2,4,6-tribromophenoxy)ethenoxy]benzene?
The canonical SMILES for 1,3,5-tribromo-2-[1-(2,4,6-tribromophenoxy)ethenoxy]benzene is C=C(Oc1c(Br)cc(Br)cc1Br)Oc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 1,3,5-tribromo-2-[1-(2,4,6-tribromophenoxy)ethenoxy]benzene?
The InChIKey is GXUKYLWAEHDYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Br6O2/c1-6(21-13-9(17)2-7(15)3-10(13)18)22-14-11(19)4-8(16)5-12(14)20/h2-5H,1H2.
What are the key properties of 1,3,5-tribromo-2-[1-(2,4,6-tribromophenoxy)ethenoxy]benzene?
1,3,5-tribromo-2-[1-(2,4,6-tribromophenoxy)ethenoxy]benzene has a molecular weight of 685.62 g/mol, XLogP of 8.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tribromo-2-[1-(2,4,6-tribromophenoxy)ethenoxy]benzene is sourced from PubChem (CID 138377093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).