4-bromo-3-hydroxy-2H-furan-5-one

C4H3BrO3 — CID 54703624

IUPAC4-bromo-3-hydroxy-2H-furan-5-one
SMILESO=C1OCC(O)=C1Br
InChIInChI=1S/C4H3BrO3/c5-3-2(6)1-8-4(3)7/h6H,1H2
InChIKeyZQSNXNHYJXRNAE-UHFFFAOYSA-N
MW178.97 g/mol
LogP0.71
Rot. Bonds

About 4-bromo-3-hydroxy-2H-furan-5-one

4-bromo-3-hydroxy-2H-furan-5-one (PubChem CID 54703624) has the molecular formula C4H3BrO3 and a molecular weight of 178.97 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name4-bromo-3-hydroxy-2H-furan-5-one
PubChem CID54703624
Molecular FormulaC4H3BrO3
Molecular Weight178.97 g/mol
Exact Mass177.93
IUPAC Name4-bromo-3-hydroxy-2H-furan-5-one
SMILESO=C1OCC(O)=C1Br
InChIInChI=1S/C4H3BrO3/c5-3-2(6)1-8-4(3)7/h6H,1H2
InChIKeyZQSNXNHYJXRNAE-UHFFFAOYSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.97
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-2H-furan-5-one?
The IUPAC name of 4-bromo-3-hydroxy-2H-furan-5-one (CID 54703624) is 4-bromo-3-hydroxy-2H-furan-5-one.
What is the SMILES notation for 4-bromo-3-hydroxy-2H-furan-5-one?
The canonical SMILES for 4-bromo-3-hydroxy-2H-furan-5-one is O=C1OCC(O)=C1Br.
What is the InChIKey of 4-bromo-3-hydroxy-2H-furan-5-one?
The InChIKey is ZQSNXNHYJXRNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrO3/c5-3-2(6)1-8-4(3)7/h6H,1H2.
What are the key properties of 4-bromo-3-hydroxy-2H-furan-5-one?
4-bromo-3-hydroxy-2H-furan-5-one has a molecular weight of 178.97 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-2H-furan-5-one is sourced from PubChem (CID 54703624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).