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

C9H12O2S — CID 102830655

IUPAC3-methoxy-1-(2-methylthiophen-3-yl)propan-1-one
SMILESCOCCC(=O)c1ccsc1C
InChIInChI=1S/C9H12O2S/c1-7-8(4-6-12-7)9(10)3-5-11-2/h4,6H,3,5H2,1-2H3
InChIKeyMJYBZHSVPPAWLK-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.28
Rot. Bonds4

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

3-methoxy-1-(2-methylthiophen-3-yl)propan-1-one (PubChem CID 102830655) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-methoxy-1-(2-methylthiophen-3-yl)propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-(2-methylthiophen-3-yl)propan-1-one
PubChem CID102830655
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name3-methoxy-1-(2-methylthiophen-3-yl)propan-1-one
SMILESCOCCC(=O)c1ccsc1C
InChIInChI=1S/C9H12O2S/c1-7-8(4-6-12-7)9(10)3-5-11-2/h4,6H,3,5H2,1-2H3
InChIKeyMJYBZHSVPPAWLK-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-1-(2-methylthiophen-3-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-1-(2-methylthiophen-3-yl)pentan-1-one
CID 102839436
1-(2-methylthiophen-3-yl)-3-pyridin-4-ylpropan-1-one
CID 102839923
bis(2-methylthiophen-3-yl)methanone
CID 101441488
2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone
CID 103558992
4-(2-aminoethyl)-5-methyl-1-(2-methylthiophen-3-yl)hexan-1-one
CID 102839475
2-cyclobutyl-1-(2-methylthiophen-3-yl)ethanone
CID 103168178
3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 62796966
3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 82053835
2-methoxy-2-methyl-1-(2-methylthiophen-3-yl)butan-1-one
CID 102831119
3-methoxy-1-phenylpropan-1-one
CID 10942788
1-(2,4-diaminophenyl)-3-methoxypropan-1-one
CID 141196079
2-ethoxy-1-(2-methylthiophen-3-yl)butan-1-one
CID 102831100

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-methylthiophen-3-yl)propan-1-one?
The IUPAC name of 3-methoxy-1-(2-methylthiophen-3-yl)propan-1-one (CID 102830655) is 3-methoxy-1-(2-methylthiophen-3-yl)propan-1-one.
What is the SMILES notation for 3-methoxy-1-(2-methylthiophen-3-yl)propan-1-one?
The canonical SMILES for 3-methoxy-1-(2-methylthiophen-3-yl)propan-1-one is COCCC(=O)c1ccsc1C.
What is the InChIKey of 3-methoxy-1-(2-methylthiophen-3-yl)propan-1-one?
The InChIKey is MJYBZHSVPPAWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-7-8(4-6-12-7)9(10)3-5-11-2/h4,6H,3,5H2,1-2H3.
What are the key properties of 3-methoxy-1-(2-methylthiophen-3-yl)propan-1-one?
3-methoxy-1-(2-methylthiophen-3-yl)propan-1-one has a molecular weight of 184.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-methylthiophen-3-yl)propan-1-one is sourced from PubChem (CID 102830655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).