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

C8H10O3 — CID 67092412

IUPAC1-(5-ethoxyfuran-2-yl)ethanone
SMILESCCOc1ccc(C(C)=O)o1
InChIInChI=1S/C8H10O3/c1-3-10-8-5-4-7(11-8)6(2)9/h4-5H,3H2,1-2H3
InChIKeyKGTYDKLGVJZTQO-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.88
Rot. Bonds3

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

1-(5-ethoxyfuran-2-yl)ethanone (PubChem CID 67092412) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 1-(5-ethoxyfuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethoxyfuran-2-yl)ethanone
PubChem CID67092412
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name1-(5-ethoxyfuran-2-yl)ethanone
SMILESCCOc1ccc(C(C)=O)o1
InChIInChI=1S/C8H10O3/c1-3-10-8-5-4-7(11-8)6(2)9/h4-5H,3H2,1-2H3
InChIKeyKGTYDKLGVJZTQO-UHFFFAOYSA-N
XLogP1.88
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxyfuran-2-yl)ethanone?
The IUPAC name of 1-(5-ethoxyfuran-2-yl)ethanone (CID 67092412) is 1-(5-ethoxyfuran-2-yl)ethanone.
What is the SMILES notation for 1-(5-ethoxyfuran-2-yl)ethanone?
The canonical SMILES for 1-(5-ethoxyfuran-2-yl)ethanone is CCOc1ccc(C(C)=O)o1.
What is the InChIKey of 1-(5-ethoxyfuran-2-yl)ethanone?
The InChIKey is KGTYDKLGVJZTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-3-10-8-5-4-7(11-8)6(2)9/h4-5H,3H2,1-2H3.
What are the key properties of 1-(5-ethoxyfuran-2-yl)ethanone?
1-(5-ethoxyfuran-2-yl)ethanone has a molecular weight of 154.16 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxyfuran-2-yl)ethanone is sourced from PubChem (CID 67092412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).