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

C4H3BrO3 — CID 11984040

IUPAC3-bromo-2-hydroxy-2H-furan-5-one
SMILESO=C1C=C(Br)C(O)O1
InChIInChI=1S/C4H3BrO3/c5-2-1-3(6)8-4(2)7/h1,4,7H
InChIKeyQRRVTWKCQQJKMN-UHFFFAOYSA-N
MW178.97 g/mol
LogP0.14
Rot. Bonds

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

3-bromo-2-hydroxy-2H-furan-5-one (PubChem CID 11984040) has the molecular formula C4H3BrO3 and a molecular weight of 178.97 g/mol. Its IUPAC name is 3-bromo-2-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name3-bromo-2-hydroxy-2H-furan-5-one
PubChem CID11984040
Molecular FormulaC4H3BrO3
Molecular Weight178.97 g/mol
Exact Mass177.93
IUPAC Name3-bromo-2-hydroxy-2H-furan-5-one
SMILESO=C1C=C(Br)C(O)O1
InChIInChI=1S/C4H3BrO3/c5-2-1-3(6)8-4(2)7/h1,4,7H
InChIKeyQRRVTWKCQQJKMN-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-hydroxy-2H-furan-5-one?
The IUPAC name of 3-bromo-2-hydroxy-2H-furan-5-one (CID 11984040) is 3-bromo-2-hydroxy-2H-furan-5-one.
What is the SMILES notation for 3-bromo-2-hydroxy-2H-furan-5-one?
The canonical SMILES for 3-bromo-2-hydroxy-2H-furan-5-one is O=C1C=C(Br)C(O)O1.
What is the InChIKey of 3-bromo-2-hydroxy-2H-furan-5-one?
The InChIKey is QRRVTWKCQQJKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrO3/c5-2-1-3(6)8-4(2)7/h1,4,7H.
What are the key properties of 3-bromo-2-hydroxy-2H-furan-5-one?
3-bromo-2-hydroxy-2H-furan-5-one has a molecular weight of 178.97 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-hydroxy-2H-furan-5-one is sourced from PubChem (CID 11984040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).