2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone

C16H18O2S — CID 43612483

IUPAC2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1ccc(OCC(=O)c2cc(C)sc2C)c(C)c1
InChIInChI=1S/C16H18O2S/c1-10-5-6-16(11(2)7-10)18-9-15(17)14-8-12(3)19-13(14)4/h5-8H,9H2,1-4H3
InChIKeyUMJARYRXIKCDEO-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.24
Rot. Bonds4

About 2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone

2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone (PubChem CID 43612483) has the molecular formula C16H18O2S and a molecular weight of 274.38 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
PubChem CID43612483
Molecular FormulaC16H18O2S
Molecular Weight274.38 g/mol
Exact Mass274.10
IUPAC Name2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1ccc(OCC(=O)c2cc(C)sc2C)c(C)c1
InChIInChI=1S/C16H18O2S/c1-10-5-6-16(11(2)7-10)18-9-15(17)14-8-12(3)19-13(14)4/h5-8H,9H2,1-4H3
InChIKeyUMJARYRXIKCDEO-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone 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

2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 60662304
1-(2,5-dimethylthiophen-3-yl)-2-(4-methyl-2-nitrophenoxy)ethanone
CID 28595390
1-(2,5-dimethylthiophen-3-yl)-2-(5-methyl-2-nitrophenoxy)ethanone
CID 27545915
2-(2,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43411877
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43612324
2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 104708049
2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide
CID 43231129
1-(5-bromothiophen-2-yl)-2-(2,4-dimethylphenoxy)ethanone
CID 43411918
2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 60625071
2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 43412276
1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413909

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
The IUPAC name of 2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone (CID 43612483) is 2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone is Cc1ccc(OCC(=O)c2cc(C)sc2C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
The InChIKey is UMJARYRXIKCDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-10-5-6-16(11(2)7-10)18-9-15(17)14-8-12(3)19-13(14)4/h5-8H,9H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone has a molecular weight of 274.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone is sourced from PubChem (CID 43612483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).