3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one

C15H16O2S — CID 114975974

IUPAC3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2csc(C)c2)cc1
InChIInChI=1S/C15H16O2S/c1-11-9-13(10-18-11)15(16)8-5-12-3-6-14(17-2)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyVDECYRSUONCFIA-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.88
Rot. Bonds5

About 3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one

3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one (PubChem CID 114975974) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one
PubChem CID114975974
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2csc(C)c2)cc1
InChIInChI=1S/C15H16O2S/c1-11-9-13(10-18-11)15(16)8-5-12-3-6-14(17-2)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyVDECYRSUONCFIA-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxyphenyl)-1-(5-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

1-(5-methylthiophen-3-yl)-3-phenylpropan-1-one
CID 58514679
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974360
3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 10802865
3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 43625070
3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one
CID 81118412
1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one
CID 65444925
1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974368
1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 58027389
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
2-(3-methylphenyl)-1-(5-methylthiophen-3-yl)ethanone
CID 65099524

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one (CID 114975974) is 3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one is COc1ccc(CCC(=O)c2csc(C)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one?
The InChIKey is VDECYRSUONCFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-11-9-13(10-18-11)15(16)8-5-12-3-6-14(17-2)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one?
3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one has a molecular weight of 260.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one is sourced from PubChem (CID 114975974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).