4-ethyl-1-(2-fluoro-4-methylsulfonylphenoxy)-2-methoxybenzene

C16H17FO4S — CID 59191242

IUPAC4-ethyl-1-(2-fluoro-4-methylsulfonylphenoxy)-2-methoxybenzene
SMILESCCc1ccc(Oc2ccc(S(C)(=O)=O)cc2F)c(OC)c1
InChIInChI=1S/C16H17FO4S/c1-4-11-5-7-15(16(9-11)20-2)21-14-8-6-12(10-13(14)17)22(3,18)19/h5-10H,4H2,1-3H3
InChIKeyMYIJROLRNWAPEO-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.59
Rot. Bonds5

About 4-ethyl-1-(2-fluoro-4-methylsulfonylphenoxy)-2-methoxybenzene

4-ethyl-1-(2-fluoro-4-methylsulfonylphenoxy)-2-methoxybenzene (PubChem CID 59191242) has the molecular formula C16H17FO4S and a molecular weight of 324.37 g/mol. Its IUPAC name is 4-ethyl-1-(2-fluoro-4-methylsulfonylphenoxy)-2-methoxybenzene.

Molecular Properties

Compound Name4-ethyl-1-(2-fluoro-4-methylsulfonylphenoxy)-2-methoxybenzene
PubChem CID59191242
Molecular FormulaC16H17FO4S
Molecular Weight324.37 g/mol
Exact Mass324.08
IUPAC Name4-ethyl-1-(2-fluoro-4-methylsulfonylphenoxy)-2-methoxybenzene
SMILESCCc1ccc(Oc2ccc(S(C)(=O)=O)cc2F)c(OC)c1
InChIInChI=1S/C16H17FO4S/c1-4-11-5-7-15(16(9-11)20-2)21-14-8-6-12(10-13(14)17)22(3,18)19/h5-10H,4H2,1-3H3
InChIKeyMYIJROLRNWAPEO-UHFFFAOYSA-N
XLogP3.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-fluoro-4-methylsulfonylphenoxy)-2-methoxybenzene?
The IUPAC name of 4-ethyl-1-(2-fluoro-4-methylsulfonylphenoxy)-2-methoxybenzene (CID 59191242) is 4-ethyl-1-(2-fluoro-4-methylsulfonylphenoxy)-2-methoxybenzene.
What is the SMILES notation for 4-ethyl-1-(2-fluoro-4-methylsulfonylphenoxy)-2-methoxybenzene?
The canonical SMILES for 4-ethyl-1-(2-fluoro-4-methylsulfonylphenoxy)-2-methoxybenzene is CCc1ccc(Oc2ccc(S(C)(=O)=O)cc2F)c(OC)c1.
What is the InChIKey of 4-ethyl-1-(2-fluoro-4-methylsulfonylphenoxy)-2-methoxybenzene?
The InChIKey is MYIJROLRNWAPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO4S/c1-4-11-5-7-15(16(9-11)20-2)21-14-8-6-12(10-13(14)17)22(3,18)19/h5-10H,4H2,1-3H3.
What are the key properties of 4-ethyl-1-(2-fluoro-4-methylsulfonylphenoxy)-2-methoxybenzene?
4-ethyl-1-(2-fluoro-4-methylsulfonylphenoxy)-2-methoxybenzene has a molecular weight of 324.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-fluoro-4-methylsulfonylphenoxy)-2-methoxybenzene is sourced from PubChem (CID 59191242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).