2-(4-ethylsulfanylphenyl)-1-(4-fluorophenyl)-2-hydroxyethanone

C16H15FO2S — CID 67620909

IUPAC2-(4-ethylsulfanylphenyl)-1-(4-fluorophenyl)-2-hydroxyethanone
SMILESCCSc1ccc(C(O)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO2S/c1-2-20-14-9-5-12(6-10-14)16(19)15(18)11-3-7-13(17)8-4-11/h3-10,16,19H,2H2,1H3
InChIKeyDCVIHNBTXQAEOL-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.85
Rot. Bonds5

About 2-(4-ethylsulfanylphenyl)-1-(4-fluorophenyl)-2-hydroxyethanone

2-(4-ethylsulfanylphenyl)-1-(4-fluorophenyl)-2-hydroxyethanone (PubChem CID 67620909) has the molecular formula C16H15FO2S and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)-1-(4-fluorophenyl)-2-hydroxyethanone.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)-1-(4-fluorophenyl)-2-hydroxyethanone
PubChem CID67620909
Molecular FormulaC16H15FO2S
Molecular Weight290.36 g/mol
Exact Mass290.08
IUPAC Name2-(4-ethylsulfanylphenyl)-1-(4-fluorophenyl)-2-hydroxyethanone
SMILESCCSc1ccc(C(O)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO2S/c1-2-20-14-9-5-12(6-10-14)16(19)15(18)11-3-7-13(17)8-4-11/h3-10,16,19H,2H2,1H3
InChIKeyDCVIHNBTXQAEOL-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)-1-(4-fluorophenyl)-2-hydroxyethanone?
The IUPAC name of 2-(4-ethylsulfanylphenyl)-1-(4-fluorophenyl)-2-hydroxyethanone (CID 67620909) is 2-(4-ethylsulfanylphenyl)-1-(4-fluorophenyl)-2-hydroxyethanone.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)-1-(4-fluorophenyl)-2-hydroxyethanone?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)-1-(4-fluorophenyl)-2-hydroxyethanone is CCSc1ccc(C(O)C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)-1-(4-fluorophenyl)-2-hydroxyethanone?
The InChIKey is DCVIHNBTXQAEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2S/c1-2-20-14-9-5-12(6-10-14)16(19)15(18)11-3-7-13(17)8-4-11/h3-10,16,19H,2H2,1H3.
What are the key properties of 2-(4-ethylsulfanylphenyl)-1-(4-fluorophenyl)-2-hydroxyethanone?
2-(4-ethylsulfanylphenyl)-1-(4-fluorophenyl)-2-hydroxyethanone has a molecular weight of 290.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)-1-(4-fluorophenyl)-2-hydroxyethanone is sourced from PubChem (CID 67620909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).