1-(4-fluorophenyl)-3-(2-methylsulfanylphenoxy)propan-2-one

C16H15FO2S — CID 63648016

IUPAC1-(4-fluorophenyl)-3-(2-methylsulfanylphenoxy)propan-2-one
SMILESCSc1ccccc1OCC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C16H15FO2S/c1-20-16-5-3-2-4-15(16)19-11-14(18)10-12-6-8-13(17)9-7-12/h2-9H,10-11H2,1H3
InChIKeyLGGUHHXGONFMEN-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.74
Rot. Bonds6

About 1-(4-fluorophenyl)-3-(2-methylsulfanylphenoxy)propan-2-one

1-(4-fluorophenyl)-3-(2-methylsulfanylphenoxy)propan-2-one (PubChem CID 63648016) has the molecular formula C16H15FO2S and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-methylsulfanylphenoxy)propan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-methylsulfanylphenoxy)propan-2-one
PubChem CID63648016
Molecular FormulaC16H15FO2S
Molecular Weight290.36 g/mol
Exact Mass290.08
IUPAC Name1-(4-fluorophenyl)-3-(2-methylsulfanylphenoxy)propan-2-one
SMILESCSc1ccccc1OCC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C16H15FO2S/c1-20-16-5-3-2-4-15(16)19-11-14(18)10-12-6-8-13(17)9-7-12/h2-9H,10-11H2,1H3
InChIKeyLGGUHHXGONFMEN-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one
CID 107508154
1-(2-methylsulfanylphenoxy)propan-2-one
CID 63649691
1-(4-fluorophenoxy)-3-phenylpropan-2-one
CID 43799903
1-(2-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one
CID 62031562
1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one
CID 43799955
1-(4-fluorophenyl)-3-(4-methylpentan-2-yloxy)propan-2-one
CID 43799042
N'-[2-(2-ethoxyphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656633
1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone
CID 63649687
1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one
CID 62033460
1-(4-fluorophenyl)-3-[3-(methoxymethyl)phenoxy]propan-2-one
CID 63985981
1-(4-bromo-3,5-dimethylphenoxy)-3-(4-fluorophenyl)propan-2-one
CID 107725192
1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone
CID 104752083

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-methylsulfanylphenoxy)propan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-methylsulfanylphenoxy)propan-2-one (CID 63648016) is 1-(4-fluorophenyl)-3-(2-methylsulfanylphenoxy)propan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-methylsulfanylphenoxy)propan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-methylsulfanylphenoxy)propan-2-one is CSc1ccccc1OCC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-methylsulfanylphenoxy)propan-2-one?
The InChIKey is LGGUHHXGONFMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2S/c1-20-16-5-3-2-4-15(16)19-11-14(18)10-12-6-8-13(17)9-7-12/h2-9H,10-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(2-methylsulfanylphenoxy)propan-2-one?
1-(4-fluorophenyl)-3-(2-methylsulfanylphenoxy)propan-2-one has a molecular weight of 290.36 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-methylsulfanylphenoxy)propan-2-one is sourced from PubChem (CID 63648016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).