(2-acetyl-4-methylphenyl) 5-methylthiophene-2-carboxylate

C15H14O3S — CID 142757062

IUPAC(2-acetyl-4-methylphenyl) 5-methylthiophene-2-carboxylate
SMILESCC(=O)c1cc(C)ccc1OC(=O)c1ccc(C)s1
InChIInChI=1S/C15H14O3S/c1-9-4-6-13(12(8-9)11(3)16)18-15(17)14-7-5-10(2)19-14/h4-8H,1-3H3
InChIKeyLGQYYQVTQHJMIA-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.79
Rot. Bonds3

About (2-acetyl-4-methylphenyl) 5-methylthiophene-2-carboxylate

(2-acetyl-4-methylphenyl) 5-methylthiophene-2-carboxylate (PubChem CID 142757062) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is (2-acetyl-4-methylphenyl) 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name(2-acetyl-4-methylphenyl) 5-methylthiophene-2-carboxylate
PubChem CID142757062
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name(2-acetyl-4-methylphenyl) 5-methylthiophene-2-carboxylate
SMILESCC(=O)c1cc(C)ccc1OC(=O)c1ccc(C)s1
InChIInChI=1S/C15H14O3S/c1-9-4-6-13(12(8-9)11(3)16)18-15(17)14-7-5-10(2)19-14/h4-8H,1-3H3
InChIKeyLGQYYQVTQHJMIA-UHFFFAOYSA-N
XLogP3.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2-acetyl-4-methylphenyl) 5-methylthiophene-2-carboxylate 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

(3-methylphenyl) 5-methylthiophene-2-carboxylate
CID 129259656
1-[5-methyl-2-(trideuteriomethoxy)phenyl]ethanone
CID 162369564
(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 106860754
[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 9009190
1-(2-but-3-en-2-yloxy-5-methylphenyl)ethanone
CID 62382500
(5-fluoro-2-nitrophenyl) 5-methylthiophene-2-carboxylate
CID 47097369
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone
CID 106863595
phenyl 2-acetyloxy-5-methylbenzoate
CID 139745245
1-[2-(4-bromobutoxy)-5-methylphenyl]ethanone
CID 43504846
(2,4-dimethylphenyl) thiophene-2-carboxylate
CID 13404169
(5-carbamoyl-1H-imidazol-4-yl) 5-methylthiophene-2-carboxylate
CID 20550053
(2-acetyl-5-methylphenyl) 5-chloro-2-methoxybenzoate
CID 50889272

Frequently Asked Questions

What is the IUPAC name of (2-acetyl-4-methylphenyl) 5-methylthiophene-2-carboxylate?
The IUPAC name of (2-acetyl-4-methylphenyl) 5-methylthiophene-2-carboxylate (CID 142757062) is (2-acetyl-4-methylphenyl) 5-methylthiophene-2-carboxylate.
What is the SMILES notation for (2-acetyl-4-methylphenyl) 5-methylthiophene-2-carboxylate?
The canonical SMILES for (2-acetyl-4-methylphenyl) 5-methylthiophene-2-carboxylate is CC(=O)c1cc(C)ccc1OC(=O)c1ccc(C)s1.
What is the InChIKey of (2-acetyl-4-methylphenyl) 5-methylthiophene-2-carboxylate?
The InChIKey is LGQYYQVTQHJMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-9-4-6-13(12(8-9)11(3)16)18-15(17)14-7-5-10(2)19-14/h4-8H,1-3H3.
What are the key properties of (2-acetyl-4-methylphenyl) 5-methylthiophene-2-carboxylate?
(2-acetyl-4-methylphenyl) 5-methylthiophene-2-carboxylate has a molecular weight of 274.34 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyl-4-methylphenyl) 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 142757062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).