4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol

C14H12O4 — CID 5281717

IUPAC4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol
SMILESOc1cc(O)cc(/C=C/c2ccc(O)cc2O)c1
InChIInChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+
InChIKeyPDHAOJSHSJQANO-OWOJBTEDSA-N
MW244.25 g/mol
LogP2.68
Rot. Bonds2

About 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol

4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol (PubChem CID 5281717) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol
PubChem CID5281717
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol
SMILESOc1cc(O)cc(/C=C/c2ccc(O)cc2O)c1
InChIInChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+
InChIKeyPDHAOJSHSJQANO-OWOJBTEDSA-N
XLogP2.68
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.68
H-Bond Donors ≤ 54
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-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol (CID 5281717) is 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol is Oc1cc(O)cc(/C=C/c2ccc(O)cc2O)c1.
What is the InChIKey of 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol?
The InChIKey is PDHAOJSHSJQANO-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+.
What are the key properties of 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol?
4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol has a molecular weight of 244.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol is sourced from PubChem (CID 5281717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).