2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one

C9H12O2S — CID 79617007

IUPAC2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one
SMILESCOC(C)C(=O)c1csc(C)c1
InChIInChI=1S/C9H12O2S/c1-6-4-8(5-12-6)9(10)7(2)11-3/h4-5,7H,1-3H3
InChIKeyBENQTGIIXWFKCR-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.27
Rot. Bonds3

About 2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one

2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one (PubChem CID 79617007) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one
PubChem CID79617007
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one
SMILESCOC(C)C(=O)c1csc(C)c1
InChIInChI=1S/C9H12O2S/c1-6-4-8(5-12-6)9(10)7(2)11-3/h4-5,7H,1-3H3
InChIKeyBENQTGIIXWFKCR-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3-methyl-1-(5-methylthiophen-3-yl)butan-1-one
CID 116708572
2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one
CID 103451508
2-methyl-3-(methylamino)-1-(5-methylthiophen-3-yl)propan-1-one
CID 116587029
2,2-diethoxy-1-(5-methylthiophen-3-yl)ethanone
CID 79495934
1-(3-fluoro-5-methylphenyl)-2-methoxypropan-1-one
CID 79705089
2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one
CID 116553665
N'-acetyl-5-methylthiophene-3-carbohydrazide
CID 131134139
1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanone
CID 105106137
tert-butyl 5-methylthiophene-3-carboxylate
CID 101043264
1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one
CID 114975971
2-ethyl-2-methoxy-1-(5-methylthiophen-3-yl)butan-1-one
CID 116747651
(1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone
CID 116707055

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one?
The IUPAC name of 2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one (CID 79617007) is 2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one.
What is the SMILES notation for 2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one?
The canonical SMILES for 2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one is COC(C)C(=O)c1csc(C)c1.
What is the InChIKey of 2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one?
The InChIKey is BENQTGIIXWFKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-6-4-8(5-12-6)9(10)7(2)11-3/h4-5,7H,1-3H3.
What are the key properties of 2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one?
2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one has a molecular weight of 184.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one is sourced from PubChem (CID 79617007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).