1-[5-(3,5-dimethylphenyl)-4-methylthiophen-2-yl]ethanone

C15H16OS — CID 114998129

IUPAC1-[5-(3,5-dimethylphenyl)-4-methylthiophen-2-yl]ethanone
SMILESCC(=O)c1cc(C)c(-c2cc(C)cc(C)c2)s1
InChIInChI=1S/C15H16OS/c1-9-5-10(2)7-13(6-9)15-11(3)8-14(17-15)12(4)16/h5-8H,1-4H3
InChIKeyZMSPFIYVLWZNFV-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.54
Rot. Bonds2

About 1-[5-(3,5-dimethylphenyl)-4-methylthiophen-2-yl]ethanone

1-[5-(3,5-dimethylphenyl)-4-methylthiophen-2-yl]ethanone (PubChem CID 114998129) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-[5-(3,5-dimethylphenyl)-4-methylthiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3,5-dimethylphenyl)-4-methylthiophen-2-yl]ethanone
PubChem CID114998129
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1-[5-(3,5-dimethylphenyl)-4-methylthiophen-2-yl]ethanone
SMILESCC(=O)c1cc(C)c(-c2cc(C)cc(C)c2)s1
InChIInChI=1S/C15H16OS/c1-9-5-10(2)7-13(6-9)15-11(3)8-14(17-15)12(4)16/h5-8H,1-4H3
InChIKeyZMSPFIYVLWZNFV-UHFFFAOYSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[5-(3,5-dimethylphenyl)-4-methylthiophen-2-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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dimethylphenyl)-4-methylthiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(3,5-dimethylphenyl)-4-methylthiophen-2-yl]ethanone (CID 114998129) is 1-[5-(3,5-dimethylphenyl)-4-methylthiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(3,5-dimethylphenyl)-4-methylthiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(3,5-dimethylphenyl)-4-methylthiophen-2-yl]ethanone is CC(=O)c1cc(C)c(-c2cc(C)cc(C)c2)s1.
What is the InChIKey of 1-[5-(3,5-dimethylphenyl)-4-methylthiophen-2-yl]ethanone?
The InChIKey is ZMSPFIYVLWZNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-9-5-10(2)7-13(6-9)15-11(3)8-14(17-15)12(4)16/h5-8H,1-4H3.
What are the key properties of 1-[5-(3,5-dimethylphenyl)-4-methylthiophen-2-yl]ethanone?
1-[5-(3,5-dimethylphenyl)-4-methylthiophen-2-yl]ethanone has a molecular weight of 244.36 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dimethylphenyl)-4-methylthiophen-2-yl]ethanone is sourced from PubChem (CID 114998129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).