4-[(5-ethylfuran-2-yl)methyl]-2H-furan-5-one

C11H12O3 — CID 59382465

IUPAC4-[(5-ethylfuran-2-yl)methyl]-2H-furan-5-one
SMILESCCc1ccc(CC2=CCOC2=O)o1
InChIInChI=1S/C11H12O3/c1-2-9-3-4-10(14-9)7-8-5-6-13-11(8)12/h3-5H,2,6-7H2,1H3
InChIKeyYINFXEQMPPDXIU-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.87
Rot. Bonds3

About 4-[(5-ethylfuran-2-yl)methyl]-2H-furan-5-one

4-[(5-ethylfuran-2-yl)methyl]-2H-furan-5-one (PubChem CID 59382465) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-[(5-ethylfuran-2-yl)methyl]-2H-furan-5-one.

Molecular Properties

Compound Name4-[(5-ethylfuran-2-yl)methyl]-2H-furan-5-one
PubChem CID59382465
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name4-[(5-ethylfuran-2-yl)methyl]-2H-furan-5-one
SMILESCCc1ccc(CC2=CCOC2=O)o1
InChIInChI=1S/C11H12O3/c1-2-9-3-4-10(14-9)7-8-5-6-13-11(8)12/h3-5H,2,6-7H2,1H3
InChIKeyYINFXEQMPPDXIU-UHFFFAOYSA-N
XLogP1.87
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethylfuran-2-yl)methyl]-2H-furan-5-one?
The IUPAC name of 4-[(5-ethylfuran-2-yl)methyl]-2H-furan-5-one (CID 59382465) is 4-[(5-ethylfuran-2-yl)methyl]-2H-furan-5-one.
What is the SMILES notation for 4-[(5-ethylfuran-2-yl)methyl]-2H-furan-5-one?
The canonical SMILES for 4-[(5-ethylfuran-2-yl)methyl]-2H-furan-5-one is CCc1ccc(CC2=CCOC2=O)o1.
What is the InChIKey of 4-[(5-ethylfuran-2-yl)methyl]-2H-furan-5-one?
The InChIKey is YINFXEQMPPDXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-2-9-3-4-10(14-9)7-8-5-6-13-11(8)12/h3-5H,2,6-7H2,1H3.
What are the key properties of 4-[(5-ethylfuran-2-yl)methyl]-2H-furan-5-one?
4-[(5-ethylfuran-2-yl)methyl]-2H-furan-5-one has a molecular weight of 192.21 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethylfuran-2-yl)methyl]-2H-furan-5-one is sourced from PubChem (CID 59382465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).