3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one

C15H16O3S — CID 81118412

IUPAC3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2sccc2OC)cc1
InChIInChI=1S/C15H16O3S/c1-17-12-6-3-11(4-7-12)5-8-13(16)15-14(18-2)9-10-19-15/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyLNPOSSSOFUJOOK-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.58
Rot. Bonds6

About 3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one

3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one (PubChem CID 81118412) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one
PubChem CID81118412
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2sccc2OC)cc1
InChIInChI=1S/C15H16O3S/c1-17-12-6-3-11(4-7-12)5-8-13(16)15-14(18-2)9-10-19-15/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyLNPOSSSOFUJOOK-UHFFFAOYSA-N
XLogP3.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-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-(3-methoxythiophen-2-yl)butan-1-one
CID 81118922
1-(3-methoxythiophen-2-yl)-4,4-dimethylpentan-1-one
CID 114969997
2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81122443
2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81122836
3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one
CID 114975974
N-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide
CID 78946123
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone
CID 80530028
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116585377
1-(5-iodo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 43339718
1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974368

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one (CID 81118412) is 3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one is COc1ccc(CCC(=O)c2sccc2OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one?
The InChIKey is LNPOSSSOFUJOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-17-12-6-3-11(4-7-12)5-8-13(16)15-14(18-2)9-10-19-15/h3-4,6-7,9-10H,5,8H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one?
3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one has a molecular weight of 276.36 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one is sourced from PubChem (CID 81118412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).