(1S)-1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanol

C15H15FO2S — CID 55245967

IUPAC(1S)-1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanol
SMILESCSc1ccccc1Oc1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C15H15FO2S/c1-10(17)12-9-11(16)7-8-13(12)18-14-5-3-4-6-15(14)19-2/h3-10,17H,1-2H3/t10-/m0/s1
InChIKeyMLBJRAIOCPWMFY-JTQLQIEISA-N
MW278.35 g/mol
LogP4.39
Rot. Bonds4

About (1S)-1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanol

(1S)-1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanol (PubChem CID 55245967) has the molecular formula C15H15FO2S and a molecular weight of 278.35 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanol
PubChem CID55245967
Molecular FormulaC15H15FO2S
Molecular Weight278.35 g/mol
Exact Mass278.08
IUPAC Name(1S)-1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanol
SMILESCSc1ccccc1Oc1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C15H15FO2S/c1-10(17)12-9-11(16)7-8-13(12)18-14-5-3-4-6-15(14)19-2/h3-10,17H,1-2H3/t10-/m0/s1
InChIKeyMLBJRAIOCPWMFY-JTQLQIEISA-N
XLogP4.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanol (CID 55245967) is (1S)-1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanol is CSc1ccccc1Oc1ccc(F)cc1[C@H](C)O.
What is the InChIKey of (1S)-1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanol?
The InChIKey is MLBJRAIOCPWMFY-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15FO2S/c1-10(17)12-9-11(16)7-8-13(12)18-14-5-3-4-6-15(14)19-2/h3-10,17H,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanol?
(1S)-1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanol has a molecular weight of 278.35 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 (1S)-1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanol is sourced from PubChem (CID 55245967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).