4-bromo-5-hydroxy-5-methylfuran-2-one

C5H5BrO3 — CID 14785094

IUPAC4-bromo-5-hydroxy-5-methylfuran-2-one
SMILESCC1(O)OC(=O)C=C1Br
InChIInChI=1S/C5H5BrO3/c1-5(8)3(6)2-4(7)9-5/h2,8H,1H3
InChIKeyQJQXJNJYUVCHQF-UHFFFAOYSA-N
MW193.00 g/mol
LogP0.53
Rot. Bonds

About 4-bromo-5-hydroxy-5-methylfuran-2-one

4-bromo-5-hydroxy-5-methylfuran-2-one (PubChem CID 14785094) has the molecular formula C5H5BrO3 and a molecular weight of 193.00 g/mol. Its IUPAC name is 4-bromo-5-hydroxy-5-methylfuran-2-one.

Molecular Properties

Compound Name4-bromo-5-hydroxy-5-methylfuran-2-one
PubChem CID14785094
Molecular FormulaC5H5BrO3
Molecular Weight193.00 g/mol
Exact Mass191.94
IUPAC Name4-bromo-5-hydroxy-5-methylfuran-2-one
SMILESCC1(O)OC(=O)C=C1Br
InChIInChI=1S/C5H5BrO3/c1-5(8)3(6)2-4(7)9-5/h2,8H,1H3
InChIKeyQJQXJNJYUVCHQF-UHFFFAOYSA-N
XLogP0.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.00
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Hydroxy-5-methyl-2(5h)-furanone
CID 12314670
4,5-Dibromo-5-methylfuran-2-one
CID 14708622
InChI=1/C7H9BrO3/c1-4(2)7(10)5(8)3-6(9)11-7/h3-4,10H,1-2H
CID 14785095
4-Bromo-5-(dibromomethyl)-5-hydroxyfuran-2-one
CID 21636744
4-Bromo-5,5-dimethylfuran-2-one
CID 12671960
4-Bromo-5-(bromomethyl)-5-hydroxyfuran-2-one
CID 23240866
4-Bromo-5-hydroxy-3,5-dimethylfuran-2(5H)-one
CID 71411260

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-hydroxy-5-methylfuran-2-one?
The IUPAC name of 4-bromo-5-hydroxy-5-methylfuran-2-one (CID 14785094) is 4-bromo-5-hydroxy-5-methylfuran-2-one.
What is the SMILES notation for 4-bromo-5-hydroxy-5-methylfuran-2-one?
The canonical SMILES for 4-bromo-5-hydroxy-5-methylfuran-2-one is CC1(O)OC(=O)C=C1Br.
What is the InChIKey of 4-bromo-5-hydroxy-5-methylfuran-2-one?
The InChIKey is QJQXJNJYUVCHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrO3/c1-5(8)3(6)2-4(7)9-5/h2,8H,1H3.
What are the key properties of 4-bromo-5-hydroxy-5-methylfuran-2-one?
4-bromo-5-hydroxy-5-methylfuran-2-one has a molecular weight of 193.00 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-hydroxy-5-methylfuran-2-one is sourced from PubChem (CID 14785094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).