1,3,5-tribromo-2-ethoxybenzene

C8H7Br3O — CID 19375331

IUPAC1,3,5-tribromo-2-ethoxybenzene
SMILESCCOc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C8H7Br3O/c1-2-12-8-6(10)3-5(9)4-7(8)11/h3-4H,2H2,1H3
InChIKeyLERFHXCLIVRDIK-UHFFFAOYSA-N
MW358.86 g/mol
LogP4.37
Rot. Bonds2

About 1,3,5-tribromo-2-ethoxybenzene

1,3,5-tribromo-2-ethoxybenzene (PubChem CID 19375331) has the molecular formula C8H7Br3O and a molecular weight of 358.86 g/mol. Its IUPAC name is 1,3,5-tribromo-2-ethoxybenzene.

Molecular Properties

Compound Name1,3,5-tribromo-2-ethoxybenzene
PubChem CID19375331
Molecular FormulaC8H7Br3O
Molecular Weight358.86 g/mol
Exact Mass355.80
IUPAC Name1,3,5-tribromo-2-ethoxybenzene
SMILESCCOc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C8H7Br3O/c1-2-12-8-6(10)3-5(9)4-7(8)11/h3-4H,2H2,1H3
InChIKeyLERFHXCLIVRDIK-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.86
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tribromo-2-ethoxybenzene?
The IUPAC name of 1,3,5-tribromo-2-ethoxybenzene (CID 19375331) is 1,3,5-tribromo-2-ethoxybenzene.
What is the SMILES notation for 1,3,5-tribromo-2-ethoxybenzene?
The canonical SMILES for 1,3,5-tribromo-2-ethoxybenzene is CCOc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 1,3,5-tribromo-2-ethoxybenzene?
The InChIKey is LERFHXCLIVRDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br3O/c1-2-12-8-6(10)3-5(9)4-7(8)11/h3-4H,2H2,1H3.
What are the key properties of 1,3,5-tribromo-2-ethoxybenzene?
1,3,5-tribromo-2-ethoxybenzene has a molecular weight of 358.86 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tribromo-2-ethoxybenzene is sourced from PubChem (CID 19375331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).