1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone

C12H12O3 — CID 115795910

IUPAC1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccoc2)c(C)o1
InChIInChI=1S/C12H12O3/c1-8-5-11(9(2)15-8)12(13)6-10-3-4-14-7-10/h3-5,7H,6H2,1-2H3
InChIKeyKUIWLZJNIHGICB-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.91
Rot. Bonds3

About 1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone

1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone (PubChem CID 115795910) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone
PubChem CID115795910
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccoc2)c(C)o1
InChIInChI=1S/C12H12O3/c1-8-5-11(9(2)15-8)12(13)6-10-3-4-14-7-10/h3-5,7H,6H2,1-2H3
InChIKeyKUIWLZJNIHGICB-UHFFFAOYSA-N
XLogP2.91
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.91
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
N-[2-(furan-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 90558255
1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone
CID 106865128
1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone
CID 83171971
1-(2,5-dimethylfuran-3-yl)-2-(2,6-dimethylphenyl)ethanone
CID 115792625
1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone
CID 116602455
1-(2-amino-5-methoxyphenyl)-2-(furan-3-yl)ethanone
CID 116602678
1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812715
1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone
CID 83173098
1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone
CID 96737699
1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione
CID 43321269
1-(2,5-dimethylfuran-3-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062798

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone (CID 115795910) is 1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone is Cc1cc(C(=O)Cc2ccoc2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone?
The InChIKey is KUIWLZJNIHGICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-8-5-11(9(2)15-8)12(13)6-10-3-4-14-7-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone?
1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone has a molecular weight of 204.22 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone is sourced from PubChem (CID 115795910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).