2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone

C15H11F3O2S — CID 141495057

IUPAC2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CSc1ccccc1O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3O2S/c16-15(17,18)11-5-3-4-10(8-11)13(20)9-21-14-7-2-1-6-12(14)19/h1-8,19H,9H2
InChIKeyZNCIJQVDJTYESV-UHFFFAOYSA-N
MW312.31 g/mol
LogP4.39
Rot. Bonds4

About 2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone

2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 141495057) has the molecular formula C15H11F3O2S and a molecular weight of 312.31 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID141495057
Molecular FormulaC15H11F3O2S
Molecular Weight312.31 g/mol
Exact Mass312.04
IUPAC Name2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CSc1ccccc1O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3O2S/c16-15(17,18)11-5-3-4-10(8-11)13(20)9-21-14-7-2-1-6-12(14)19/h1-8,19H,9H2
InChIKeyZNCIJQVDJTYESV-UHFFFAOYSA-N
XLogP4.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-iodo-1-[3-(trifluoromethyl)phenyl]ethanone
CID 22137990
2-prop-2-ynylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 19972096
2-(1-methylimidazol-2-yl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 4138789
2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 2381216
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CID 66095873
4-oxo-2-phenyl-4-[3-(trifluoromethyl)phenyl]butanenitrile
CID 154093676
2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 65139426
N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 18562109
1-(1-methylimidazol-4-yl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone (CID 141495057) is 2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone is O=C(CSc1ccccc1O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is ZNCIJQVDJTYESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2S/c16-15(17,18)11-5-3-4-10(8-11)13(20)9-21-14-7-2-1-6-12(14)19/h1-8,19H,9H2.
What are the key properties of 2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone?
2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 312.31 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 141495057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).