3-(4-bromophenyl)furan-2,5-dione

C10H5BrO3 — CID 602818

IUPAC3-(4-bromophenyl)furan-2,5-dione
SMILESO=C1C=C(c2ccc(Br)cc2)C(=O)O1
InChIInChI=1S/C10H5BrO3/c11-7-3-1-6(2-4-7)8-5-9(12)14-10(8)13/h1-5H
InChIKeyQSRWUTZIFFGYBJ-UHFFFAOYSA-N
MW253.05 g/mol
LogP1.92
Rot. Bonds1

About 3-(4-bromophenyl)furan-2,5-dione

3-(4-bromophenyl)furan-2,5-dione (PubChem CID 602818) has the molecular formula C10H5BrO3 and a molecular weight of 253.05 g/mol. Its IUPAC name is 3-(4-bromophenyl)furan-2,5-dione.

Molecular Properties

Compound Name3-(4-bromophenyl)furan-2,5-dione
PubChem CID602818
Molecular FormulaC10H5BrO3
Molecular Weight253.05 g/mol
Exact Mass251.94
IUPAC Name3-(4-bromophenyl)furan-2,5-dione
SMILESO=C1C=C(c2ccc(Br)cc2)C(=O)O1
InChIInChI=1S/C10H5BrO3/c11-7-3-1-6(2-4-7)8-5-9(12)14-10(8)13/h1-5H
InChIKeyQSRWUTZIFFGYBJ-UHFFFAOYSA-N
XLogP1.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.05
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)furan-2,5-dione?
The IUPAC name of 3-(4-bromophenyl)furan-2,5-dione (CID 602818) is 3-(4-bromophenyl)furan-2,5-dione.
What is the SMILES notation for 3-(4-bromophenyl)furan-2,5-dione?
The canonical SMILES for 3-(4-bromophenyl)furan-2,5-dione is O=C1C=C(c2ccc(Br)cc2)C(=O)O1.
What is the InChIKey of 3-(4-bromophenyl)furan-2,5-dione?
The InChIKey is QSRWUTZIFFGYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrO3/c11-7-3-1-6(2-4-7)8-5-9(12)14-10(8)13/h1-5H.
What are the key properties of 3-(4-bromophenyl)furan-2,5-dione?
3-(4-bromophenyl)furan-2,5-dione has a molecular weight of 253.05 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)furan-2,5-dione is sourced from PubChem (CID 602818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).