1-[3-(2-fluorophenyl)sulfanyl-2-hydroxyphenyl]ethanone

C14H11FO2S — CID 20513498

IUPAC1-[3-(2-fluorophenyl)sulfanyl-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1cccc(Sc2ccccc2F)c1O
InChIInChI=1S/C14H11FO2S/c1-9(16)10-5-4-8-13(14(10)17)18-12-7-3-2-6-11(12)15/h2-8,17H,1H3
InChIKeyZNSCCFUYTAOUAJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.89
Rot. Bonds3

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

1-[3-(2-fluorophenyl)sulfanyl-2-hydroxyphenyl]ethanone (PubChem CID 20513498) has the molecular formula C14H11FO2S and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)sulfanyl-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)sulfanyl-2-hydroxyphenyl]ethanone
PubChem CID20513498
Molecular FormulaC14H11FO2S
Molecular Weight262.31 g/mol
Exact Mass262.05
IUPAC Name1-[3-(2-fluorophenyl)sulfanyl-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1cccc(Sc2ccccc2F)c1O
InChIInChI=1S/C14H11FO2S/c1-9(16)10-5-4-8-13(14(10)17)18-12-7-3-2-6-11(12)15/h2-8,17H,1H3
InChIKeyZNSCCFUYTAOUAJ-UHFFFAOYSA-N
XLogP3.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-fluorophenyl)sulfanylphenyl] acetate
CID 20513500
(1R)-1-[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 78951910
3-(2-fluorophenyl)sulfanyl-2-methylaniline
CID 63063967
1-(2-hydroxy-3-nitrosophenyl)ethanone
CID 152988503
(3-acetyl-2-hydroxyphenyl)azanium
CID 58330574
S-(2-acetylphenyl) ethanethioate
CID 118319809
(1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 63813079
1-[2,3-bis(phenylsulfanyl)phenyl]ethanone
CID 150211220
1-(2-acetylphenyl)ethanone;methane
CID 158210616
4-(2-fluorophenyl)sulfanylpyridine-3-carboxylic acid
CID 81237081
4-(2-fluorophenyl)sulfanylphenol
CID 91875605
3-acetyl-2-hydroxybenzaldehyde
CID 10975813

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)sulfanyl-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[3-(2-fluorophenyl)sulfanyl-2-hydroxyphenyl]ethanone (CID 20513498) is 1-[3-(2-fluorophenyl)sulfanyl-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[3-(2-fluorophenyl)sulfanyl-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[3-(2-fluorophenyl)sulfanyl-2-hydroxyphenyl]ethanone is CC(=O)c1cccc(Sc2ccccc2F)c1O.
What is the InChIKey of 1-[3-(2-fluorophenyl)sulfanyl-2-hydroxyphenyl]ethanone?
The InChIKey is ZNSCCFUYTAOUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2S/c1-9(16)10-5-4-8-13(14(10)17)18-12-7-3-2-6-11(12)15/h2-8,17H,1H3.
What are the key properties of 1-[3-(2-fluorophenyl)sulfanyl-2-hydroxyphenyl]ethanone?
1-[3-(2-fluorophenyl)sulfanyl-2-hydroxyphenyl]ethanone has a molecular weight of 262.31 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)sulfanyl-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 20513498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).