1-(5-methylfuran-2-yl)ethanone

C7H8O2 — CID 14514

IUPAC1-(5-methylfuran-2-yl)ethanone
SMILESCC(=O)c1ccc(C)o1
InChIInChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
InChIKeyKEFJLCGVTHRGAH-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.79
Rot. Bonds1

About 1-(5-methylfuran-2-yl)ethanone

1-(5-methylfuran-2-yl)ethanone (PubChem CID 14514) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)ethanone
PubChem CID14514
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name1-(5-methylfuran-2-yl)ethanone
SMILESCC(=O)c1ccc(C)o1
InChIInChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
InChIKeyKEFJLCGVTHRGAH-UHFFFAOYSA-N
XLogP1.79
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)ethanone?
The IUPAC name of 1-(5-methylfuran-2-yl)ethanone (CID 14514) is 1-(5-methylfuran-2-yl)ethanone.
What is the SMILES notation for 1-(5-methylfuran-2-yl)ethanone?
The canonical SMILES for 1-(5-methylfuran-2-yl)ethanone is CC(=O)c1ccc(C)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)ethanone?
The InChIKey is KEFJLCGVTHRGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)ethanone?
1-(5-methylfuran-2-yl)ethanone has a molecular weight of 124.14 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)ethanone is sourced from PubChem (CID 14514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).