1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone

C17H18O2S — CID 60624137

IUPAC1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone
SMILESCSc1ccc(OCC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C17H18O2S/c1-12-4-5-13(2)16(10-12)17(18)11-19-14-6-8-15(20-3)9-7-14/h4-10H,11H2,1-3H3
InChIKeyGVQKAPOINCPPFZ-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.29
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone

1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone (PubChem CID 60624137) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone
PubChem CID60624137
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone
SMILESCSc1ccc(OCC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C17H18O2S/c1-12-4-5-13(2)16(10-12)17(18)11-19-14-6-8-15(20-3)9-7-14/h4-10H,11H2,1-3H3
InChIKeyGVQKAPOINCPPFZ-UHFFFAOYSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone
CID 43413063
2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 55027185
2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 60625035
2-(4-bromo-3,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 107725175
1-(2,5-dimethylphenyl)-2-(2-methylsulfanylphenoxy)ethanone
CID 63647847
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(2,5-dimethylphenyl)ethanone
CID 43411830
1-(2,5-dichlorothiophen-3-yl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60652315
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140911
1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone
CID 60626805
1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 63649372
2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide
CID 47014341
1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60624163

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone (CID 60624137) is 1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone is CSc1ccc(OCC(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone?
The InChIKey is GVQKAPOINCPPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-12-4-5-13(2)16(10-12)17(18)11-19-14-6-8-15(20-3)9-7-14/h4-10H,11H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone?
1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone has a molecular weight of 286.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone is sourced from PubChem (CID 60624137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).