1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone

C12H16O2S — CID 106679943

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone
SMILESCOc1cc(C)cc(C)c1C(=O)CSC
InChIInChI=1S/C12H16O2S/c1-8-5-9(2)12(10(13)7-15-4)11(6-8)14-3/h5-6H,7H2,1-4H3
InChIKeyYETVBWWVEJAFGA-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.86
Rot. Bonds4

About 1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone

1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone (PubChem CID 106679943) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone
PubChem CID106679943
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone
SMILESCOc1cc(C)cc(C)c1C(=O)CSC
InChIInChI=1S/C12H16O2S/c1-8-5-9(2)12(10(13)7-15-4)11(6-8)14-3/h5-6H,7H2,1-4H3
InChIKeyYETVBWWVEJAFGA-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 106679998
2-methylsulfanyl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 86045322
5-(2-methoxy-4,6-dimethylphenyl)-5-oxopentanoic acid
CID 98784357
4-hydroxy-1-(2-methoxy-4,6-dimethylphenyl)butan-1-one
CID 96659252
1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 106681968
1-(2-methoxy-4,6-dimethylphenyl)-3-(methylamino)propan-1-one
CID 96672338
1-(2-methoxy-4,6-dimethylphenyl)-3-propoxypropan-1-one
CID 106681993
7-amino-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-one
CID 106681678
2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106679903
2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106682017
3-(aminomethyl)-1-(2-methoxy-4,6-dimethylphenyl)pentan-1-one
CID 106681794
1-(4-tert-butyl-2,6-dimethylphenyl)-2-methylsulfanylethanone
CID 116830113

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone (CID 106679943) is 1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone is COc1cc(C)cc(C)c1C(=O)CSC.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone?
The InChIKey is YETVBWWVEJAFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c1-8-5-9(2)12(10(13)7-15-4)11(6-8)14-3/h5-6H,7H2,1-4H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone?
1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone has a molecular weight of 224.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone is sourced from PubChem (CID 106679943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).