3-[2-(4-bromophenyl)ethenyl]-2H-furan-5-one

C12H9BrO2 — CID 54332858

IUPAC3-[2-(4-bromophenyl)ethenyl]-2H-furan-5-one
SMILESO=C1C=C(C=Cc2ccc(Br)cc2)CO1
InChIInChI=1S/C12H9BrO2/c13-11-5-3-9(4-6-11)1-2-10-7-12(14)15-8-10/h1-7H,8H2
InChIKeySZOGWOIJFKGNFY-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.95
Rot. Bonds2

About 3-[2-(4-bromophenyl)ethenyl]-2H-furan-5-one

3-[2-(4-bromophenyl)ethenyl]-2H-furan-5-one (PubChem CID 54332858) has the molecular formula C12H9BrO2 and a molecular weight of 265.11 g/mol. Its IUPAC name is 3-[2-(4-bromophenyl)ethenyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-[2-(4-bromophenyl)ethenyl]-2H-furan-5-one
PubChem CID54332858
Molecular FormulaC12H9BrO2
Molecular Weight265.11 g/mol
Exact Mass263.98
IUPAC Name3-[2-(4-bromophenyl)ethenyl]-2H-furan-5-one
SMILESO=C1C=C(C=Cc2ccc(Br)cc2)CO1
InChIInChI=1S/C12H9BrO2/c13-11-5-3-9(4-6-11)1-2-10-7-12(14)15-8-10/h1-7H,8H2
InChIKeySZOGWOIJFKGNFY-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenyl)ethenyl]-2H-furan-5-one?
The IUPAC name of 3-[2-(4-bromophenyl)ethenyl]-2H-furan-5-one (CID 54332858) is 3-[2-(4-bromophenyl)ethenyl]-2H-furan-5-one.
What is the SMILES notation for 3-[2-(4-bromophenyl)ethenyl]-2H-furan-5-one?
The canonical SMILES for 3-[2-(4-bromophenyl)ethenyl]-2H-furan-5-one is O=C1C=C(C=Cc2ccc(Br)cc2)CO1.
What is the InChIKey of 3-[2-(4-bromophenyl)ethenyl]-2H-furan-5-one?
The InChIKey is SZOGWOIJFKGNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO2/c13-11-5-3-9(4-6-11)1-2-10-7-12(14)15-8-10/h1-7H,8H2.
What are the key properties of 3-[2-(4-bromophenyl)ethenyl]-2H-furan-5-one?
3-[2-(4-bromophenyl)ethenyl]-2H-furan-5-one has a molecular weight of 265.11 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenyl)ethenyl]-2H-furan-5-one is sourced from PubChem (CID 54332858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).