2-ethoxy-6-(furan-2-yl)-2,3-dihydropyran-4-one

C11H12O4 — CID 15262292

IUPAC2-ethoxy-6-(furan-2-yl)-2,3-dihydropyran-4-one
SMILESCCOC1CC(=O)C=C(c2ccco2)O1
InChIInChI=1S/C11H12O4/c1-2-13-11-7-8(12)6-10(15-11)9-4-3-5-14-9/h3-6,11H,2,7H2,1H3
InChIKeyPMVUNMUQEMVAOX-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.97
Rot. Bonds3

About 2-ethoxy-6-(furan-2-yl)-2,3-dihydropyran-4-one

2-ethoxy-6-(furan-2-yl)-2,3-dihydropyran-4-one (PubChem CID 15262292) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-ethoxy-6-(furan-2-yl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-ethoxy-6-(furan-2-yl)-2,3-dihydropyran-4-one
PubChem CID15262292
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-ethoxy-6-(furan-2-yl)-2,3-dihydropyran-4-one
SMILESCCOC1CC(=O)C=C(c2ccco2)O1
InChIInChI=1S/C11H12O4/c1-2-13-11-7-8(12)6-10(15-11)9-4-3-5-14-9/h3-6,11H,2,7H2,1H3
InChIKeyPMVUNMUQEMVAOX-UHFFFAOYSA-N
XLogP1.97
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(furan-2-yl)-2,3-dihydropyran-4-one?
The IUPAC name of 2-ethoxy-6-(furan-2-yl)-2,3-dihydropyran-4-one (CID 15262292) is 2-ethoxy-6-(furan-2-yl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-ethoxy-6-(furan-2-yl)-2,3-dihydropyran-4-one?
The canonical SMILES for 2-ethoxy-6-(furan-2-yl)-2,3-dihydropyran-4-one is CCOC1CC(=O)C=C(c2ccco2)O1.
What is the InChIKey of 2-ethoxy-6-(furan-2-yl)-2,3-dihydropyran-4-one?
The InChIKey is PMVUNMUQEMVAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-2-13-11-7-8(12)6-10(15-11)9-4-3-5-14-9/h3-6,11H,2,7H2,1H3.
What are the key properties of 2-ethoxy-6-(furan-2-yl)-2,3-dihydropyran-4-one?
2-ethoxy-6-(furan-2-yl)-2,3-dihydropyran-4-one has a molecular weight of 208.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(furan-2-yl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 15262292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).