1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol

C15H15FOS — CID 63812916

IUPAC1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol
SMILESCc1ccc(Sc2cccc(F)c2C(C)O)cc1
InChIInChI=1S/C15H15FOS/c1-10-6-8-12(9-7-10)18-14-5-3-4-13(16)15(14)11(2)17/h3-9,11,17H,1-2H3
InChIKeyOXBJEPLUFHUAGE-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.34
Rot. Bonds3

About 1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol

1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol (PubChem CID 63812916) has the molecular formula C15H15FOS and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol
PubChem CID63812916
Molecular FormulaC15H15FOS
Molecular Weight262.35 g/mol
Exact Mass262.08
IUPAC Name1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol
SMILESCc1ccc(Sc2cccc(F)c2C(C)O)cc1
InChIInChI=1S/C15H15FOS/c1-10-6-8-12(9-7-10)18-14-5-3-4-13(16)15(14)11(2)17/h3-9,11,17H,1-2H3
InChIKeyOXBJEPLUFHUAGE-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol
CID 78952014
(1R)-1-[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 78951910
1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol
CID 55239481
1-(2,6-difluorophenyl)ethanol
CID 5012075
(1R)-1-[2-(2,5-dichlorophenyl)sulfanyl-6-fluorophenyl]ethanol
CID 63813226
(1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol
CID 63814899
2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 78981401
1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 63835947
(1R)-1-[2-(4-bromophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 55184086
1-fluoro-3-(4-methylphenyl)sulfanyl-2-nitrobenzene
CID 62689821
(1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine
CID 78938825
(1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol
CID 63836108

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol?
The IUPAC name of 1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol (CID 63812916) is 1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for 1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol?
The canonical SMILES for 1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol is Cc1ccc(Sc2cccc(F)c2C(C)O)cc1.
What is the InChIKey of 1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol?
The InChIKey is OXBJEPLUFHUAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FOS/c1-10-6-8-12(9-7-10)18-14-5-3-4-13(16)15(14)11(2)17/h3-9,11,17H,1-2H3.
What are the key properties of 1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol?
1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol has a molecular weight of 262.35 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 63812916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).