4-(4-prop-2-enoxyphenyl)sulfonylphenol

C15H14O4S — CID 2054598

IUPAC4-(4-prop-2-enoxyphenyl)sulfonylphenol
SMILESC=CCOc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C15H14O4S/c1-2-11-19-13-5-9-15(10-6-13)20(17,18)14-7-3-12(16)4-8-14/h2-10,16H,1,11H2
InChIKeyFKZIDBGIZLBDDF-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.79
Rot. Bonds5

About 4-(4-prop-2-enoxyphenyl)sulfonylphenol

4-(4-prop-2-enoxyphenyl)sulfonylphenol (PubChem CID 2054598) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-(4-prop-2-enoxyphenyl)sulfonylphenol.

Molecular Properties

Compound Name4-(4-prop-2-enoxyphenyl)sulfonylphenol
PubChem CID2054598
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name4-(4-prop-2-enoxyphenyl)sulfonylphenol
SMILESC=CCOc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C15H14O4S/c1-2-11-19-13-5-9-15(10-6-13)20(17,18)14-7-3-12(16)4-8-14/h2-10,16H,1,11H2
InChIKeyFKZIDBGIZLBDDF-UHFFFAOYSA-N
XLogP2.79
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-prop-2-enoxyphenyl)sulfonylphenol?
The IUPAC name of 4-(4-prop-2-enoxyphenyl)sulfonylphenol (CID 2054598) is 4-(4-prop-2-enoxyphenyl)sulfonylphenol.
What is the SMILES notation for 4-(4-prop-2-enoxyphenyl)sulfonylphenol?
The canonical SMILES for 4-(4-prop-2-enoxyphenyl)sulfonylphenol is C=CCOc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-prop-2-enoxyphenyl)sulfonylphenol?
The InChIKey is FKZIDBGIZLBDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c1-2-11-19-13-5-9-15(10-6-13)20(17,18)14-7-3-12(16)4-8-14/h2-10,16H,1,11H2.
What are the key properties of 4-(4-prop-2-enoxyphenyl)sulfonylphenol?
4-(4-prop-2-enoxyphenyl)sulfonylphenol has a molecular weight of 290.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-prop-2-enoxyphenyl)sulfonylphenol is sourced from PubChem (CID 2054598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).