1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone

C12H12O3 — CID 115795803

IUPAC1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone
SMILESCCc1ccc(C(=O)Cc2ccoc2)o1
InChIInChI=1S/C12H12O3/c1-2-10-3-4-12(15-10)11(13)7-9-5-6-14-8-9/h3-6,8H,2,7H2,1H3
InChIKeyQSTGTWQAPURKNC-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.86
Rot. Bonds4

About 1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone

1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone (PubChem CID 115795803) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone
PubChem CID115795803
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Name1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone
SMILESCCc1ccc(C(=O)Cc2ccoc2)o1
InChIInChI=1S/C12H12O3/c1-2-10-3-4-12(15-10)11(13)7-9-5-6-14-8-9/h3-6,8H,2,7H2,1H3
InChIKeyQSTGTWQAPURKNC-UHFFFAOYSA-N
XLogP2.86
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-3-yl)-1-(5-methylfuran-2-yl)ethanone
CID 115795779
1-(5-ethylfuran-2-yl)butan-1-one
CID 62344781
1-(5-ethylfuran-2-yl)-2-thiophen-2-ylethanone
CID 79095620
2-cyclopropyl-1-(5-ethylfuran-2-yl)ethanone
CID 62346024
1-(5-ethylfuran-2-yl)heptan-1-one
CID 114752170
1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone
CID 115795910
3-ethylfuran;methanol
CID 174626479
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)ethanone
CID 114980388
1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 79094528
1-(5-ethylfuran-2-yl)-3-methylsulfonylpropan-1-one
CID 114969554
2-(3-bromo-2,6-difluorophenyl)-1-(5-ethylfuran-2-yl)ethanone
CID 106267927
1-(2-amino-5-methoxyphenyl)-2-(furan-3-yl)ethanone
CID 116602678

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone?
The IUPAC name of 1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone (CID 115795803) is 1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone is CCc1ccc(C(=O)Cc2ccoc2)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone?
The InChIKey is QSTGTWQAPURKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-2-10-3-4-12(15-10)11(13)7-9-5-6-14-8-9/h3-6,8H,2,7H2,1H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone?
1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone has a molecular weight of 204.23 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone is sourced from PubChem (CID 115795803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).