1-(3-methoxythiophen-2-yl)butan-1-one

C9H12O2S — CID 81118922

IUPAC1-(3-methoxythiophen-2-yl)butan-1-one
SMILESCCCC(=O)c1sccc1OC
InChIInChI=1S/C9H12O2S/c1-3-4-7(10)9-8(11-2)5-6-12-9/h5-6H,3-4H2,1-2H3
InChIKeyBUVCOIJSABDUMV-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.74
Rot. Bonds4

About 1-(3-methoxythiophen-2-yl)butan-1-one

1-(3-methoxythiophen-2-yl)butan-1-one (PubChem CID 81118922) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-(3-methoxythiophen-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(3-methoxythiophen-2-yl)butan-1-one
PubChem CID81118922
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name1-(3-methoxythiophen-2-yl)butan-1-one
SMILESCCCC(=O)c1sccc1OC
InChIInChI=1S/C9H12O2S/c1-3-4-7(10)9-8(11-2)5-6-12-9/h5-6H,3-4H2,1-2H3
InChIKeyBUVCOIJSABDUMV-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxythiophen-2-yl)-4,4-dimethylpentan-1-one
CID 114969997
3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one
CID 81118412
1-(3-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-one
CID 114965048
2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 114967861
potassium 3-methoxythiophene-2-carboxylate
CID 172727491
2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81122443
2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81122836
1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone
CID 81122055
2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone
CID 103513670
methyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate
CID 78945933
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanone
CID 115779604
1-(3-methoxythiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784375

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxythiophen-2-yl)butan-1-one?
The IUPAC name of 1-(3-methoxythiophen-2-yl)butan-1-one (CID 81118922) is 1-(3-methoxythiophen-2-yl)butan-1-one.
What is the SMILES notation for 1-(3-methoxythiophen-2-yl)butan-1-one?
The canonical SMILES for 1-(3-methoxythiophen-2-yl)butan-1-one is CCCC(=O)c1sccc1OC.
What is the InChIKey of 1-(3-methoxythiophen-2-yl)butan-1-one?
The InChIKey is BUVCOIJSABDUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-3-4-7(10)9-8(11-2)5-6-12-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(3-methoxythiophen-2-yl)butan-1-one?
1-(3-methoxythiophen-2-yl)butan-1-one has a molecular weight of 184.26 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxythiophen-2-yl)butan-1-one is sourced from PubChem (CID 81118922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).