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

C15H16O4S — CID 59191380

IUPAC5-ethyl-2-(4-methylsulfonylphenoxy)phenol
SMILESCCc1ccc(Oc2ccc(S(C)(=O)=O)cc2)c(O)c1
InChIInChI=1S/C15H16O4S/c1-3-11-4-9-15(14(16)10-11)19-12-5-7-13(8-6-12)20(2,17)18/h4-10,16H,3H2,1-2H3
InChIKeyYNYKFQPVFSHCGQ-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.15
Rot. Bonds4

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

5-ethyl-2-(4-methylsulfonylphenoxy)phenol (PubChem CID 59191380) has the molecular formula C15H16O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-ethyl-2-(4-methylsulfonylphenoxy)phenol.

Molecular Properties

Compound Name5-ethyl-2-(4-methylsulfonylphenoxy)phenol
PubChem CID59191380
Molecular FormulaC15H16O4S
Molecular Weight292.36 g/mol
Exact Mass292.08
IUPAC Name5-ethyl-2-(4-methylsulfonylphenoxy)phenol
SMILESCCc1ccc(Oc2ccc(S(C)(=O)=O)cc2)c(O)c1
InChIInChI=1S/C15H16O4S/c1-3-11-4-9-15(14(16)10-11)19-12-5-7-13(8-6-12)20(2,17)18/h4-10,16H,3H2,1-2H3
InChIKeyYNYKFQPVFSHCGQ-UHFFFAOYSA-N
XLogP3.15
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-methylsulfonylphenoxy)phenol?
The IUPAC name of 5-ethyl-2-(4-methylsulfonylphenoxy)phenol (CID 59191380) is 5-ethyl-2-(4-methylsulfonylphenoxy)phenol.
What is the SMILES notation for 5-ethyl-2-(4-methylsulfonylphenoxy)phenol?
The canonical SMILES for 5-ethyl-2-(4-methylsulfonylphenoxy)phenol is CCc1ccc(Oc2ccc(S(C)(=O)=O)cc2)c(O)c1.
What is the InChIKey of 5-ethyl-2-(4-methylsulfonylphenoxy)phenol?
The InChIKey is YNYKFQPVFSHCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4S/c1-3-11-4-9-15(14(16)10-11)19-12-5-7-13(8-6-12)20(2,17)18/h4-10,16H,3H2,1-2H3.
What are the key properties of 5-ethyl-2-(4-methylsulfonylphenoxy)phenol?
5-ethyl-2-(4-methylsulfonylphenoxy)phenol has a molecular weight of 292.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-methylsulfonylphenoxy)phenol is sourced from PubChem (CID 59191380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).