1-[5-[(E)-2-(5-acetylfuran-2-yl)ethenyl]furan-2-yl]ethanone

C14H12O4 — CID 2306820

IUPAC1-[5-[(E)-2-(5-acetylfuran-2-yl)ethenyl]furan-2-yl]ethanone
SMILESCC(=O)c1ccc(/C=C/c2ccc(C(C)=O)o2)o1
InChIInChI=1S/C14H12O4/c1-9(15)13-7-5-11(17-13)3-4-12-6-8-14(18-12)10(2)16/h3-8H,1-2H3/b4-3+
InChIKeyJVGGIPSSAGCELG-ONEGZZNKSA-N
MW244.25 g/mol
LogP3.45
Rot. Bonds4

About 1-[5-[(E)-2-(5-acetylfuran-2-yl)ethenyl]furan-2-yl]ethanone

1-[5-[(E)-2-(5-acetylfuran-2-yl)ethenyl]furan-2-yl]ethanone (PubChem CID 2306820) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-[5-[(E)-2-(5-acetylfuran-2-yl)ethenyl]furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(E)-2-(5-acetylfuran-2-yl)ethenyl]furan-2-yl]ethanone
PubChem CID2306820
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name1-[5-[(E)-2-(5-acetylfuran-2-yl)ethenyl]furan-2-yl]ethanone
SMILESCC(=O)c1ccc(/C=C/c2ccc(C(C)=O)o2)o1
InChIInChI=1S/C14H12O4/c1-9(15)13-7-5-11(17-13)3-4-12-6-8-14(18-12)10(2)16/h3-8H,1-2H3/b4-3+
InChIKeyJVGGIPSSAGCELG-ONEGZZNKSA-N
XLogP3.45
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(E)-2-(5-acetylfuran-2-yl)ethenyl]furan-2-yl]ethanone?
The IUPAC name of 1-[5-[(E)-2-(5-acetylfuran-2-yl)ethenyl]furan-2-yl]ethanone (CID 2306820) is 1-[5-[(E)-2-(5-acetylfuran-2-yl)ethenyl]furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-[(E)-2-(5-acetylfuran-2-yl)ethenyl]furan-2-yl]ethanone?
The canonical SMILES for 1-[5-[(E)-2-(5-acetylfuran-2-yl)ethenyl]furan-2-yl]ethanone is CC(=O)c1ccc(/C=C/c2ccc(C(C)=O)o2)o1.
What is the InChIKey of 1-[5-[(E)-2-(5-acetylfuran-2-yl)ethenyl]furan-2-yl]ethanone?
The InChIKey is JVGGIPSSAGCELG-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H12O4/c1-9(15)13-7-5-11(17-13)3-4-12-6-8-14(18-12)10(2)16/h3-8H,1-2H3/b4-3+.
What are the key properties of 1-[5-[(E)-2-(5-acetylfuran-2-yl)ethenyl]furan-2-yl]ethanone?
1-[5-[(E)-2-(5-acetylfuran-2-yl)ethenyl]furan-2-yl]ethanone has a molecular weight of 244.25 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-2-(5-acetylfuran-2-yl)ethenyl]furan-2-yl]ethanone is sourced from PubChem (CID 2306820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).