4-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylsulfonylphenol

C15H14O4S — CID 11630680

IUPAC4-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylsulfonylphenol
SMILESCS(=O)(=O)c1cc(O)ccc1/C=C/c1ccc(O)cc1
InChIInChI=1S/C15H14O4S/c1-20(18,19)15-10-14(17)9-6-12(15)5-2-11-3-7-13(16)8-4-11/h2-10,16-17H,1H3/b5-2+
InChIKeyKZZIDNAUUIXMTD-GORDUTHDSA-N
MW290.34 g/mol
LogP2.67
Rot. Bonds3

About 4-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylsulfonylphenol

4-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylsulfonylphenol (PubChem CID 11630680) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylsulfonylphenol.

Molecular Properties

Compound Name4-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylsulfonylphenol
PubChem CID11630680
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name4-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylsulfonylphenol
SMILESCS(=O)(=O)c1cc(O)ccc1/C=C/c1ccc(O)cc1
InChIInChI=1S/C15H14O4S/c1-20(18,19)15-10-14(17)9-6-12(15)5-2-11-3-7-13(16)8-4-11/h2-10,16-17H,1H3/b5-2+
InChIKeyKZZIDNAUUIXMTD-GORDUTHDSA-N
XLogP2.67
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylsulfonylphenol?
The IUPAC name of 4-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylsulfonylphenol (CID 11630680) is 4-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylsulfonylphenol.
What is the SMILES notation for 4-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylsulfonylphenol?
The canonical SMILES for 4-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylsulfonylphenol is CS(=O)(=O)c1cc(O)ccc1/C=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylsulfonylphenol?
The InChIKey is KZZIDNAUUIXMTD-GORDUTHDSA-N. The full InChI is InChI=1S/C15H14O4S/c1-20(18,19)15-10-14(17)9-6-12(15)5-2-11-3-7-13(16)8-4-11/h2-10,16-17H,1H3/b5-2+.
What are the key properties of 4-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylsulfonylphenol?
4-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylsulfonylphenol has a molecular weight of 290.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylsulfonylphenol is sourced from PubChem (CID 11630680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).