2-hydroxyethyl hypobromite

C2H5BrO2 — CID 87416152

IUPAC2-hydroxyethyl hypobromite
SMILESOCCOBr
InChIInChI=1S/C2H5BrO2/c3-5-2-1-4/h4H,1-2H2
InChIKeyOHPXNJYVMLKBJZ-UHFFFAOYSA-N
MW140.96 g/mol
LogP0.31
Rot. Bonds2

About 2-hydroxyethyl hypobromite

2-hydroxyethyl hypobromite (PubChem CID 87416152) has the molecular formula C2H5BrO2 and a molecular weight of 140.96 g/mol. Its IUPAC name is 2-hydroxyethyl hypobromite.

Molecular Properties

Compound Name2-hydroxyethyl hypobromite
PubChem CID87416152
Molecular FormulaC2H5BrO2
Molecular Weight140.96 g/mol
Exact Mass139.95
IUPAC Name2-hydroxyethyl hypobromite
SMILESOCCOBr
InChIInChI=1S/C2H5BrO2/c3-5-2-1-4/h4H,1-2H2
InChIKeyOHPXNJYVMLKBJZ-UHFFFAOYSA-N
XLogP0.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.96
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethylene Glycol
CID 174
(1,1,2,2-2H4)Ethane-1,2-(2H2)diol
CID 2733139
Ethylene glycol-(OD)2
CID 10986148
1,2-Ethanediol, sodium salt (1:1)
CID 23678159
1,2-Ethanediol, lithium salt (1:1)
CID 23688918
1,2-Ethane-1,1,2,2-d4-diol
CID 2733137
(~13~C_2_)Ethane-1,2-diol
CID 16213434
Ethylene glycol water
CID 20437942
Ethylene glycol monosodium salt
CID 86592871
Monobromo ethylene glycol
CID 11829546
Hydroxyethyl hydroperoxide
CID 14819036
Hydrochloric acid ethylene glycol
CID 19991664

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl hypobromite?
The IUPAC name of 2-hydroxyethyl hypobromite (CID 87416152) is 2-hydroxyethyl hypobromite.
What is the SMILES notation for 2-hydroxyethyl hypobromite?
The canonical SMILES for 2-hydroxyethyl hypobromite is OCCOBr.
What is the InChIKey of 2-hydroxyethyl hypobromite?
The InChIKey is OHPXNJYVMLKBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BrO2/c3-5-2-1-4/h4H,1-2H2.
What are the key properties of 2-hydroxyethyl hypobromite?
2-hydroxyethyl hypobromite has a molecular weight of 140.96 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl hypobromite is sourced from PubChem (CID 87416152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).