1,2,4,5-tetrabromo-3,6-diphenoxybenzene

C18H10Br4O2 — CID 23129262

IUPAC1,2,4,5-tetrabromo-3,6-diphenoxybenzene
SMILESBrc1c(Br)c(Oc2ccccc2)c(Br)c(Br)c1Oc1ccccc1
InChIInChI=1S/C18H10Br4O2/c19-13-15(21)18(24-12-9-5-2-6-10-12)16(22)14(20)17(13)23-11-7-3-1-4-8-11/h1-10H
InChIKeyNHENJBMLRFIPJC-UHFFFAOYSA-N
MW577.89 g/mol
LogP8.32
Rot. Bonds4

About 1,2,4,5-tetrabromo-3,6-diphenoxybenzene

1,2,4,5-tetrabromo-3,6-diphenoxybenzene (PubChem CID 23129262) has the molecular formula C18H10Br4O2 and a molecular weight of 577.89 g/mol. Its IUPAC name is 1,2,4,5-tetrabromo-3,6-diphenoxybenzene.

Molecular Properties

Compound Name1,2,4,5-tetrabromo-3,6-diphenoxybenzene
PubChem CID23129262
Molecular FormulaC18H10Br4O2
Molecular Weight577.89 g/mol
Exact Mass573.74
IUPAC Name1,2,4,5-tetrabromo-3,6-diphenoxybenzene
SMILESBrc1c(Br)c(Oc2ccccc2)c(Br)c(Br)c1Oc1ccccc1
InChIInChI=1S/C18H10Br4O2/c19-13-15(21)18(24-12-9-5-2-6-10-12)16(22)14(20)17(13)23-11-7-3-1-4-8-11/h1-10H
InChIKeyNHENJBMLRFIPJC-UHFFFAOYSA-N
XLogP8.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.89
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

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1,2,3,4,5-pentamethoxy-6-phenoxybenzene
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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrabromo-3,6-diphenoxybenzene?
The IUPAC name of 1,2,4,5-tetrabromo-3,6-diphenoxybenzene (CID 23129262) is 1,2,4,5-tetrabromo-3,6-diphenoxybenzene.
What is the SMILES notation for 1,2,4,5-tetrabromo-3,6-diphenoxybenzene?
The canonical SMILES for 1,2,4,5-tetrabromo-3,6-diphenoxybenzene is Brc1c(Br)c(Oc2ccccc2)c(Br)c(Br)c1Oc1ccccc1.
What is the InChIKey of 1,2,4,5-tetrabromo-3,6-diphenoxybenzene?
The InChIKey is NHENJBMLRFIPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Br4O2/c19-13-15(21)18(24-12-9-5-2-6-10-12)16(22)14(20)17(13)23-11-7-3-1-4-8-11/h1-10H.
What are the key properties of 1,2,4,5-tetrabromo-3,6-diphenoxybenzene?
1,2,4,5-tetrabromo-3,6-diphenoxybenzene has a molecular weight of 577.89 g/mol, XLogP of 8.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrabromo-3,6-diphenoxybenzene is sourced from PubChem (CID 23129262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).