2-(3,5-dibromophenoxy)ethanol

C8H8Br2O2 — CID 125479638

IUPAC2-(3,5-dibromophenoxy)ethanol
SMILESOCCOc1cc(Br)cc(Br)c1
InChIInChI=1S/C8H8Br2O2/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5,11H,1-2H2
InChIKeyNBAWYTBEJIBGFY-UHFFFAOYSA-N
MW295.96 g/mol
LogP2.58
Rot. Bonds3

About 2-(3,5-dibromophenoxy)ethanol

2-(3,5-dibromophenoxy)ethanol (PubChem CID 125479638) has the molecular formula C8H8Br2O2 and a molecular weight of 295.96 g/mol. Its IUPAC name is 2-(3,5-dibromophenoxy)ethanol.

Molecular Properties

Compound Name2-(3,5-dibromophenoxy)ethanol
PubChem CID125479638
Molecular FormulaC8H8Br2O2
Molecular Weight295.96 g/mol
Exact Mass293.89
IUPAC Name2-(3,5-dibromophenoxy)ethanol
SMILESOCCOc1cc(Br)cc(Br)c1
InChIInChI=1S/C8H8Br2O2/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5,11H,1-2H2
InChIKeyNBAWYTBEJIBGFY-UHFFFAOYSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.96
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromophenoxy)ethanol?
The IUPAC name of 2-(3,5-dibromophenoxy)ethanol (CID 125479638) is 2-(3,5-dibromophenoxy)ethanol.
What is the SMILES notation for 2-(3,5-dibromophenoxy)ethanol?
The canonical SMILES for 2-(3,5-dibromophenoxy)ethanol is OCCOc1cc(Br)cc(Br)c1.
What is the InChIKey of 2-(3,5-dibromophenoxy)ethanol?
The InChIKey is NBAWYTBEJIBGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2O2/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5,11H,1-2H2.
What are the key properties of 2-(3,5-dibromophenoxy)ethanol?
2-(3,5-dibromophenoxy)ethanol has a molecular weight of 295.96 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromophenoxy)ethanol is sourced from PubChem (CID 125479638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).