1-(4-ethyl-2-methylfuran-3-yl)-2-methoxyethanone

C10H14O3 — CID 82254109

IUPAC1-(4-ethyl-2-methylfuran-3-yl)-2-methoxyethanone
SMILESCCc1coc(C)c1C(=O)COC
InChIInChI=1S/C10H14O3/c1-4-8-5-13-7(2)10(8)9(11)6-12-3/h5H,4,6H2,1-3H3
InChIKeyQZVZZNNWTBTXJB-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.98
Rot. Bonds4

About 1-(4-ethyl-2-methylfuran-3-yl)-2-methoxyethanone

1-(4-ethyl-2-methylfuran-3-yl)-2-methoxyethanone (PubChem CID 82254109) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(4-ethyl-2-methylfuran-3-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(4-ethyl-2-methylfuran-3-yl)-2-methoxyethanone
PubChem CID82254109
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-(4-ethyl-2-methylfuran-3-yl)-2-methoxyethanone
SMILESCCc1coc(C)c1C(=O)COC
InChIInChI=1S/C10H14O3/c1-4-8-5-13-7(2)10(8)9(11)6-12-3/h5H,4,6H2,1-3H3
InChIKeyQZVZZNNWTBTXJB-UHFFFAOYSA-N
XLogP1.98
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2-methylfuran-3-yl)-2-methoxyethanone?
The IUPAC name of 1-(4-ethyl-2-methylfuran-3-yl)-2-methoxyethanone (CID 82254109) is 1-(4-ethyl-2-methylfuran-3-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(4-ethyl-2-methylfuran-3-yl)-2-methoxyethanone?
The canonical SMILES for 1-(4-ethyl-2-methylfuran-3-yl)-2-methoxyethanone is CCc1coc(C)c1C(=O)COC.
What is the InChIKey of 1-(4-ethyl-2-methylfuran-3-yl)-2-methoxyethanone?
The InChIKey is QZVZZNNWTBTXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-8-5-13-7(2)10(8)9(11)6-12-3/h5H,4,6H2,1-3H3.
What are the key properties of 1-(4-ethyl-2-methylfuran-3-yl)-2-methoxyethanone?
1-(4-ethyl-2-methylfuran-3-yl)-2-methoxyethanone has a molecular weight of 182.22 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2-methylfuran-3-yl)-2-methoxyethanone is sourced from PubChem (CID 82254109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).