1-hydroxyethyl hypobromite

C2H5BrO2 — CID 141268184

IUPAC1-hydroxyethyl hypobromite
SMILESCC(O)OBr
InChIInChI=1S/C2H5BrO2/c1-2(4)5-3/h2,4H,1H3
InChIKeyCMNFESNRUUOSRG-UHFFFAOYSA-N
MW140.96 g/mol
LogP0.65
Rot. Bonds1

About 1-hydroxyethyl hypobromite

1-hydroxyethyl hypobromite (PubChem CID 141268184) has the molecular formula C2H5BrO2 and a molecular weight of 140.96 g/mol. Its IUPAC name is 1-hydroxyethyl hypobromite.

Molecular Properties

Compound Name1-hydroxyethyl hypobromite
PubChem CID141268184
Molecular FormulaC2H5BrO2
Molecular Weight140.96 g/mol
Exact Mass139.95
IUPAC Name1-hydroxyethyl hypobromite
SMILESCC(O)OBr
InChIInChI=1S/C2H5BrO2/c1-2(4)5-3/h2,4H,1H3
InChIKeyCMNFESNRUUOSRG-UHFFFAOYSA-N
XLogP0.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.96
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-hydroxyethoxy(dimethyl)silyl]oxyethanol
CID 59066807
ethane;1-methoxyethanol
CID 157348595
1,2-ditritiopropan-2-ol
CID 173309028
2,5-dibromohexane-3,4-diol
CID 102249432
azane;bromocopper;copper;bis(ethane-1,1-diol);hydrate
CID 6393939
1-(1-hydroxyethoxyperoxy)ethanol
CID 87454274
tetrakis(1-hydroxyethyl) silicate
CID 87656804
1,1,3-tribromobutan-2-ol
CID 23054816
(1R)-1-(dimethylamino)ethanol
CID 93477762
hydroxy(trimethyl)silane;propan-2-ol
CID 172704934
bis(dibromorhenium);bis(ethane-1,1-diol)
CID 5231293
(1S)-1-(dimethylamino)ethanol
CID 93477761

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyethyl hypobromite?
The IUPAC name of 1-hydroxyethyl hypobromite (CID 141268184) is 1-hydroxyethyl hypobromite.
What is the SMILES notation for 1-hydroxyethyl hypobromite?
The canonical SMILES for 1-hydroxyethyl hypobromite is CC(O)OBr.
What is the InChIKey of 1-hydroxyethyl hypobromite?
The InChIKey is CMNFESNRUUOSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BrO2/c1-2(4)5-3/h2,4H,1H3.
What are the key properties of 1-hydroxyethyl hypobromite?
1-hydroxyethyl hypobromite has a molecular weight of 140.96 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethyl hypobromite is sourced from PubChem (CID 141268184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).