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

C5H5BrO3 — CID 817071

IUPAC4-bromo-3-methoxy-2H-furan-5-one
SMILESCOC1=C(Br)C(=O)OC1
InChIInChI=1S/C5H5BrO3/c1-8-3-2-9-5(7)4(3)6/h2H2,1H3
InChIKeyLBTDFSZUTKKQST-UHFFFAOYSA-N
MW193.00 g/mol
LogP0.80
Rot. Bonds1

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

4-bromo-3-methoxy-2H-furan-5-one (PubChem CID 817071) has the molecular formula C5H5BrO3 and a molecular weight of 193.00 g/mol. Its IUPAC name is 4-bromo-3-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name4-bromo-3-methoxy-2H-furan-5-one
PubChem CID817071
Molecular FormulaC5H5BrO3
Molecular Weight193.00 g/mol
Exact Mass191.94
IUPAC Name4-bromo-3-methoxy-2H-furan-5-one
SMILESCOC1=C(Br)C(=O)OC1
InChIInChI=1S/C5H5BrO3/c1-8-3-2-9-5(7)4(3)6/h2H2,1H3
InChIKeyLBTDFSZUTKKQST-UHFFFAOYSA-N
XLogP0.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.00
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-2H-furan-5-one?
The IUPAC name of 4-bromo-3-methoxy-2H-furan-5-one (CID 817071) is 4-bromo-3-methoxy-2H-furan-5-one.
What is the SMILES notation for 4-bromo-3-methoxy-2H-furan-5-one?
The canonical SMILES for 4-bromo-3-methoxy-2H-furan-5-one is COC1=C(Br)C(=O)OC1.
What is the InChIKey of 4-bromo-3-methoxy-2H-furan-5-one?
The InChIKey is LBTDFSZUTKKQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrO3/c1-8-3-2-9-5(7)4(3)6/h2H2,1H3.
What are the key properties of 4-bromo-3-methoxy-2H-furan-5-one?
4-bromo-3-methoxy-2H-furan-5-one has a molecular weight of 193.00 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-2H-furan-5-one is sourced from PubChem (CID 817071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).