1-(5-acetyl-2,4-dimethylfuran-3-yl)ethanone

C10H12O3 — CID 638373

IUPAC1-(5-acetyl-2,4-dimethylfuran-3-yl)ethanone
SMILESCC(=O)c1oc(C)c(C(C)=O)c1C
InChIInChI=1S/C10H12O3/c1-5-9(6(2)11)8(4)13-10(5)7(3)12/h1-4H3
InChIKeySQTOEGBEIMUFEJ-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.30
Rot. Bonds2

About 1-(5-acetyl-2,4-dimethylfuran-3-yl)ethanone

1-(5-acetyl-2,4-dimethylfuran-3-yl)ethanone (PubChem CID 638373) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 1-(5-acetyl-2,4-dimethylfuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-acetyl-2,4-dimethylfuran-3-yl)ethanone
PubChem CID638373
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name1-(5-acetyl-2,4-dimethylfuran-3-yl)ethanone
SMILESCC(=O)c1oc(C)c(C(C)=O)c1C
InChIInChI=1S/C10H12O3/c1-5-9(6(2)11)8(4)13-10(5)7(3)12/h1-4H3
InChIKeySQTOEGBEIMUFEJ-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetyl-3-methylcycloprop-2-en-1-one
CID 164818342
methyl 4-acetyl-2-amino-5-methylfuran-3-carboxylate
CID 20983611
1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone
CID 43155116
1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 15841993
1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155094
5-acetyl-4-methyl-1,3-oxathiol-2-one
CID 130030927
1-[2-[4-(5-acetyl-6-methyl-4-sulfanylidene-1,3-oxazin-2-yl)phenyl]-6-methyl-4-sulfanylidene-1,3-oxazin-5-yl]ethanone
CID 10597784
1-(4-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethanone
CID 107285294
1-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 43155099
1-(2-acetyl-1-benzofuran-3-yl)ethanone
CID 11637030
2,6-dimethyl-4-oxopyran-3,5-dicarboxylic acid
CID 152755757
1-(7-methyl-2-tricyclo[6.2.0.03,6]deca-1,3(6),7-trienyl)ethanone
CID 57244245

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-2,4-dimethylfuran-3-yl)ethanone?
The IUPAC name of 1-(5-acetyl-2,4-dimethylfuran-3-yl)ethanone (CID 638373) is 1-(5-acetyl-2,4-dimethylfuran-3-yl)ethanone.
What is the SMILES notation for 1-(5-acetyl-2,4-dimethylfuran-3-yl)ethanone?
The canonical SMILES for 1-(5-acetyl-2,4-dimethylfuran-3-yl)ethanone is CC(=O)c1oc(C)c(C(C)=O)c1C.
What is the InChIKey of 1-(5-acetyl-2,4-dimethylfuran-3-yl)ethanone?
The InChIKey is SQTOEGBEIMUFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-5-9(6(2)11)8(4)13-10(5)7(3)12/h1-4H3.
What are the key properties of 1-(5-acetyl-2,4-dimethylfuran-3-yl)ethanone?
1-(5-acetyl-2,4-dimethylfuran-3-yl)ethanone has a molecular weight of 180.20 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-2,4-dimethylfuran-3-yl)ethanone is sourced from PubChem (CID 638373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).