4-(4-bromophenyl)-2H-furan-5-one

C10H7BrO2 — CID 13297233

IUPAC4-(4-bromophenyl)-2H-furan-5-one
SMILESO=C1OCC=C1c1ccc(Br)cc1
InChIInChI=1S/C10H7BrO2/c11-8-3-1-7(2-4-8)9-5-6-13-10(9)12/h1-5H,6H2
InChIKeyUQGJYOHZAJHXCO-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.39
Rot. Bonds1

About 4-(4-bromophenyl)-2H-furan-5-one

4-(4-bromophenyl)-2H-furan-5-one (PubChem CID 13297233) has the molecular formula C10H7BrO2 and a molecular weight of 239.07 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-2H-furan-5-one
PubChem CID13297233
Molecular FormulaC10H7BrO2
Molecular Weight239.07 g/mol
Exact Mass237.96
IUPAC Name4-(4-bromophenyl)-2H-furan-5-one
SMILESO=C1OCC=C1c1ccc(Br)cc1
InChIInChI=1S/C10H7BrO2/c11-8-3-1-7(2-4-8)9-5-6-13-10(9)12/h1-5H,6H2
InChIKeyUQGJYOHZAJHXCO-UHFFFAOYSA-N
XLogP2.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2H-furan-5-one?
The IUPAC name of 4-(4-bromophenyl)-2H-furan-5-one (CID 13297233) is 4-(4-bromophenyl)-2H-furan-5-one.
What is the SMILES notation for 4-(4-bromophenyl)-2H-furan-5-one?
The canonical SMILES for 4-(4-bromophenyl)-2H-furan-5-one is O=C1OCC=C1c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2H-furan-5-one?
The InChIKey is UQGJYOHZAJHXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO2/c11-8-3-1-7(2-4-8)9-5-6-13-10(9)12/h1-5H,6H2.
What are the key properties of 4-(4-bromophenyl)-2H-furan-5-one?
4-(4-bromophenyl)-2H-furan-5-one has a molecular weight of 239.07 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2H-furan-5-one is sourced from PubChem (CID 13297233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).