5-ethyl-2-(2-fluoro-4-methylsulfonylphenoxy)phenol

C15H15FO4S — CID 59191229

IUPAC5-ethyl-2-(2-fluoro-4-methylsulfonylphenoxy)phenol
SMILESCCc1ccc(Oc2ccc(S(C)(=O)=O)cc2F)c(O)c1
InChIInChI=1S/C15H15FO4S/c1-3-10-4-6-15(13(17)8-10)20-14-7-5-11(9-12(14)16)21(2,18)19/h4-9,17H,3H2,1-2H3
InChIKeyXPHJCRSNVXJMRS-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.29
Rot. Bonds4

About 5-ethyl-2-(2-fluoro-4-methylsulfonylphenoxy)phenol

5-ethyl-2-(2-fluoro-4-methylsulfonylphenoxy)phenol (PubChem CID 59191229) has the molecular formula C15H15FO4S and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-ethyl-2-(2-fluoro-4-methylsulfonylphenoxy)phenol.

Molecular Properties

Compound Name5-ethyl-2-(2-fluoro-4-methylsulfonylphenoxy)phenol
PubChem CID59191229
Molecular FormulaC15H15FO4S
Molecular Weight310.35 g/mol
Exact Mass310.07
IUPAC Name5-ethyl-2-(2-fluoro-4-methylsulfonylphenoxy)phenol
SMILESCCc1ccc(Oc2ccc(S(C)(=O)=O)cc2F)c(O)c1
InChIInChI=1S/C15H15FO4S/c1-3-10-4-6-15(13(17)8-10)20-14-7-5-11(9-12(14)16)21(2,18)19/h4-9,17H,3H2,1-2H3
InChIKeyXPHJCRSNVXJMRS-UHFFFAOYSA-N
XLogP3.29
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-fluoro-4-methylsulfonylphenoxy)phenol?
The IUPAC name of 5-ethyl-2-(2-fluoro-4-methylsulfonylphenoxy)phenol (CID 59191229) is 5-ethyl-2-(2-fluoro-4-methylsulfonylphenoxy)phenol.
What is the SMILES notation for 5-ethyl-2-(2-fluoro-4-methylsulfonylphenoxy)phenol?
The canonical SMILES for 5-ethyl-2-(2-fluoro-4-methylsulfonylphenoxy)phenol is CCc1ccc(Oc2ccc(S(C)(=O)=O)cc2F)c(O)c1.
What is the InChIKey of 5-ethyl-2-(2-fluoro-4-methylsulfonylphenoxy)phenol?
The InChIKey is XPHJCRSNVXJMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO4S/c1-3-10-4-6-15(13(17)8-10)20-14-7-5-11(9-12(14)16)21(2,18)19/h4-9,17H,3H2,1-2H3.
What are the key properties of 5-ethyl-2-(2-fluoro-4-methylsulfonylphenoxy)phenol?
5-ethyl-2-(2-fluoro-4-methylsulfonylphenoxy)phenol has a molecular weight of 310.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-fluoro-4-methylsulfonylphenoxy)phenol is sourced from PubChem (CID 59191229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).