1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethanone

C16H16OS — CID 14797593

IUPAC1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethanone
SMILESCC(=O)c1ccccc1Sc1ccc(C)cc1C
InChIInChI=1S/C16H16OS/c1-11-8-9-15(12(2)10-11)18-16-7-5-4-6-14(16)13(3)17/h4-10H,1-3H3
InChIKeyQWNUFMHSIBBQPW-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.66
Rot. Bonds3

About 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethanone

1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethanone (PubChem CID 14797593) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethanone
PubChem CID14797593
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethanone
SMILESCC(=O)c1ccccc1Sc1ccc(C)cc1C
InChIInChI=1S/C16H16OS/c1-11-8-9-15(12(2)10-11)18-16-7-5-4-6-14(16)13(3)17/h4-10H,1-3H3
InChIKeyQWNUFMHSIBBQPW-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethanone?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethanone (CID 14797593) is 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethanone.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethanone?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethanone is CC(=O)c1ccccc1Sc1ccc(C)cc1C.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethanone?
The InChIKey is QWNUFMHSIBBQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OS/c1-11-8-9-15(12(2)10-11)18-16-7-5-4-6-14(16)13(3)17/h4-10H,1-3H3.
What are the key properties of 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethanone?
1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethanone has a molecular weight of 256.37 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethanone is sourced from PubChem (CID 14797593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).