1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one

C11H14O3S — CID 107508154

IUPAC1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one
SMILESCOCC(=O)COc1ccccc1SC
InChIInChI=1S/C11H14O3S/c1-13-7-9(12)8-14-10-5-3-4-6-11(10)15-2/h3-6H,7-8H2,1-2H3
InChIKeyZJQGRDYLHBKCAF-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.00
Rot. Bonds6

About 1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one

1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one (PubChem CID 107508154) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one.

Molecular Properties

Compound Name1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one
PubChem CID107508154
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one
SMILESCOCC(=O)COc1ccccc1SC
InChIInChI=1S/C11H14O3S/c1-13-7-9(12)8-14-10-5-3-4-6-11(10)15-2/h3-6H,7-8H2,1-2H3
InChIKeyZJQGRDYLHBKCAF-UHFFFAOYSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylsulfanylphenoxy)propan-2-one
CID 63649691
1-(4-fluorophenyl)-3-(2-methylsulfanylphenoxy)propan-2-one
CID 63648016
1-[2-(hydroxymethyl)phenoxy]-3-methoxypropan-2-one
CID 107508156
1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one
CID 107507935
methyl 3-(2-methylsulfanylphenoxy)propanoate
CID 63648637
1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone
CID 63649687
1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone
CID 104752083
1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one
CID 107508075
methyl 2-bromo-3-(2-methylsulfanylphenoxy)propanoate
CID 81091823
1-(2,5-dimethylphenyl)-2-(2-methylsulfanylphenoxy)ethanone
CID 63647847
N-(4-aminophenyl)-2-(2-methylsulfanylphenoxy)acetamide
CID 63649158
3-(2-methylsulfanylphenoxy)propan-1-ol
CID 63648478

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one?
The IUPAC name of 1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one (CID 107508154) is 1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one.
What is the SMILES notation for 1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one?
The canonical SMILES for 1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one is COCC(=O)COc1ccccc1SC.
What is the InChIKey of 1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one?
The InChIKey is ZJQGRDYLHBKCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-13-7-9(12)8-14-10-5-3-4-6-11(10)15-2/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one?
1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one has a molecular weight of 226.30 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one is sourced from PubChem (CID 107508154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).