1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone

C15H13FO2S — CID 60624163

IUPAC1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone
SMILESCSc1ccc(OCC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FO2S/c1-19-14-8-6-13(7-9-14)18-10-15(17)11-2-4-12(16)5-3-11/h2-9H,10H2,1H3
InChIKeyUFTIVLBTJQYPKE-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.81
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone

1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone (PubChem CID 60624163) has the molecular formula C15H13FO2S and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone
PubChem CID60624163
Molecular FormulaC15H13FO2S
Molecular Weight276.33 g/mol
Exact Mass276.06
IUPAC Name1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone
SMILESCSc1ccc(OCC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FO2S/c1-19-14-8-6-13(7-9-14)18-10-15(17)11-2-4-12(16)5-3-11/h2-9H,10H2,1H3
InChIKeyUFTIVLBTJQYPKE-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone
CID 62785613
2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60623791
1-(4-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413939
2-(4-fluorophenoxy)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 110790579
2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 62785423
2-(2-chloro-4-methoxyphenoxy)-1-(4-methylsulfanylphenyl)ethanone
CID 11370711
1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 63649372
2-(4-methylsulfanylphenoxy)acetohydrazide
CID 16656066
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone
CID 102722519
1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60624137
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone (CID 60624163) is 1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone is CSc1ccc(OCC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone?
The InChIKey is UFTIVLBTJQYPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2S/c1-19-14-8-6-13(7-9-14)18-10-15(17)11-2-4-12(16)5-3-11/h2-9H,10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone?
1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone has a molecular weight of 276.33 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone is sourced from PubChem (CID 60624163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).