4-[2-(3,5-dihydroxyphenyl)ethenyl]benzenesulfonic acid

C14H12O5S — CID 173073405

IUPAC4-[2-(3,5-dihydroxyphenyl)ethenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(C=Cc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C14H12O5S/c15-12-7-11(8-13(16)9-12)2-1-10-3-5-14(6-4-10)20(17,18)19/h1-9,15-16H,(H,17,18,19)
InChIKeyUIKXFXKOAPAGGZ-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.51
Rot. Bonds3

About 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzenesulfonic acid

4-[2-(3,5-dihydroxyphenyl)ethenyl]benzenesulfonic acid (PubChem CID 173073405) has the molecular formula C14H12O5S and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzenesulfonic acid.

Molecular Properties

Compound Name4-[2-(3,5-dihydroxyphenyl)ethenyl]benzenesulfonic acid
PubChem CID173073405
Molecular FormulaC14H12O5S
Molecular Weight292.31 g/mol
Exact Mass292.04
IUPAC Name4-[2-(3,5-dihydroxyphenyl)ethenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(C=Cc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C14H12O5S/c15-12-7-11(8-13(16)9-12)2-1-10-3-5-14(6-4-10)20(17,18)19/h1-9,15-16H,(H,17,18,19)
InChIKeyUIKXFXKOAPAGGZ-UHFFFAOYSA-N
XLogP2.51
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
potassium [4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl] sulfate
CID 46855201
5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid
CID 25189491
5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol
CID 68740509
CID 131880553
CID 131880553
bis(4-hydroxybenzenesulfonic acid);zinc
CID 87093741
4-[(3,5-dihydroxyphenyl)sulfonylmethylsulfonyl]benzenesulfonic acid
CID 159013047
3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzenesulfonoperoxoic acid
CID 155792905
4-formylbenzenesulfonic acid;hydrochloride
CID 174959940
5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol
CID 71454329
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol
CID 21024515
5-[(E)-2-[4-(sulfanylmethyl)phenyl]ethenyl]benzene-1,3-diol
CID 87118922

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzenesulfonic acid?
The IUPAC name of 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzenesulfonic acid (CID 173073405) is 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzenesulfonic acid.
What is the SMILES notation for 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzenesulfonic acid?
The canonical SMILES for 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzenesulfonic acid is O=S(=O)(O)c1ccc(C=Cc2cc(O)cc(O)c2)cc1.
What is the InChIKey of 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzenesulfonic acid?
The InChIKey is UIKXFXKOAPAGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5S/c15-12-7-11(8-13(16)9-12)2-1-10-3-5-14(6-4-10)20(17,18)19/h1-9,15-16H,(H,17,18,19).
What are the key properties of 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzenesulfonic acid?
4-[2-(3,5-dihydroxyphenyl)ethenyl]benzenesulfonic acid has a molecular weight of 292.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzenesulfonic acid is sourced from PubChem (CID 173073405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).