4-(4-hydroxyphenyl)sulfonyl-2-prop-2-enylphenol

C15H14O4S — CID 14121742

IUPAC4-(4-hydroxyphenyl)sulfonyl-2-prop-2-enylphenol
SMILESC=CCc1cc(S(=O)(=O)c2ccc(O)cc2)ccc1O
InChIInChI=1S/C15H14O4S/c1-2-3-11-10-14(8-9-15(11)17)20(18,19)13-6-4-12(16)5-7-13/h2,4-10,16-17H,1,3H2
InChIKeyFEOYBOOAHGKICB-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.66
Rot. Bonds4

About 4-(4-hydroxyphenyl)sulfonyl-2-prop-2-enylphenol

4-(4-hydroxyphenyl)sulfonyl-2-prop-2-enylphenol (PubChem CID 14121742) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)sulfonyl-2-prop-2-enylphenol.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)sulfonyl-2-prop-2-enylphenol
PubChem CID14121742
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name4-(4-hydroxyphenyl)sulfonyl-2-prop-2-enylphenol
SMILESC=CCc1cc(S(=O)(=O)c2ccc(O)cc2)ccc1O
InChIInChI=1S/C15H14O4S/c1-2-3-11-10-14(8-9-15(11)17)20(18,19)13-6-4-12(16)5-7-13/h2,4-10,16-17H,1,3H2
InChIKeyFEOYBOOAHGKICB-UHFFFAOYSA-N
XLogP2.66
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
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-hydroxyphenyl)sulfonyl-2-prop-2-enylphenol?
The IUPAC name of 4-(4-hydroxyphenyl)sulfonyl-2-prop-2-enylphenol (CID 14121742) is 4-(4-hydroxyphenyl)sulfonyl-2-prop-2-enylphenol.
What is the SMILES notation for 4-(4-hydroxyphenyl)sulfonyl-2-prop-2-enylphenol?
The canonical SMILES for 4-(4-hydroxyphenyl)sulfonyl-2-prop-2-enylphenol is C=CCc1cc(S(=O)(=O)c2ccc(O)cc2)ccc1O.
What is the InChIKey of 4-(4-hydroxyphenyl)sulfonyl-2-prop-2-enylphenol?
The InChIKey is FEOYBOOAHGKICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c1-2-3-11-10-14(8-9-15(11)17)20(18,19)13-6-4-12(16)5-7-13/h2,4-10,16-17H,1,3H2.
What are the key properties of 4-(4-hydroxyphenyl)sulfonyl-2-prop-2-enylphenol?
4-(4-hydroxyphenyl)sulfonyl-2-prop-2-enylphenol has a molecular weight of 290.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)sulfonyl-2-prop-2-enylphenol is sourced from PubChem (CID 14121742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).