4-ethylsulfonylphenol;morpholine

C12H19NO4S — CID 174641127

IUPAC4-ethylsulfonylphenol;morpholine
SMILESC1COCCN1.CCS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C8H10O3S.C4H9NO/c1-2-12(10,11)8-5-3-7(9)4-6-8;1-3-6-4-2-5-1/h3-6,9H,2H2,1H3;5H,1-4H2
InChIKeyCYAKDKJHMUENBU-UHFFFAOYSA-N
MW273.35 g/mol
LogP0.79
Rot. Bonds2

About 4-ethylsulfonylphenol;morpholine

4-ethylsulfonylphenol;morpholine (PubChem CID 174641127) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-ethylsulfonylphenol;morpholine.

Molecular Properties

Compound Name4-ethylsulfonylphenol;morpholine
PubChem CID174641127
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name4-ethylsulfonylphenol;morpholine
SMILESC1COCCN1.CCS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C8H10O3S.C4H9NO/c1-2-12(10,11)8-5-3-7(9)4-6-8;1-3-6-4-2-5-1/h3-6,9H,2H2,1H3;5H,1-4H2
InChIKeyCYAKDKJHMUENBU-UHFFFAOYSA-N
XLogP0.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonylphenol;morpholine?
The IUPAC name of 4-ethylsulfonylphenol;morpholine (CID 174641127) is 4-ethylsulfonylphenol;morpholine.
What is the SMILES notation for 4-ethylsulfonylphenol;morpholine?
The canonical SMILES for 4-ethylsulfonylphenol;morpholine is C1COCCN1.CCS(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-ethylsulfonylphenol;morpholine?
The InChIKey is CYAKDKJHMUENBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3S.C4H9NO/c1-2-12(10,11)8-5-3-7(9)4-6-8;1-3-6-4-2-5-1/h3-6,9H,2H2,1H3;5H,1-4H2.
What are the key properties of 4-ethylsulfonylphenol;morpholine?
4-ethylsulfonylphenol;morpholine has a molecular weight of 273.35 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonylphenol;morpholine is sourced from PubChem (CID 174641127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).