2-[(E)-2-(2,4,6-trihydroxyphenyl)ethenyl]benzene-1,3,5-triol

C14H12O6 — CID 10221223

IUPAC2-[(E)-2-(2,4,6-trihydroxyphenyl)ethenyl]benzene-1,3,5-triol
SMILESOc1cc(O)c(/C=C/c2c(O)cc(O)cc2O)c(O)c1
InChIInChI=1S/C14H12O6/c15-7-3-11(17)9(12(18)4-7)1-2-10-13(19)5-8(16)6-14(10)20/h1-6,15-20H/b2-1+
InChIKeyJMSUYPPKDVGKPP-OWOJBTEDSA-N
MW276.24 g/mol
LogP2.09
Rot. Bonds2

About 2-[(E)-2-(2,4,6-trihydroxyphenyl)ethenyl]benzene-1,3,5-triol

2-[(E)-2-(2,4,6-trihydroxyphenyl)ethenyl]benzene-1,3,5-triol (PubChem CID 10221223) has the molecular formula C14H12O6 and a molecular weight of 276.24 g/mol. Its IUPAC name is 2-[(E)-2-(2,4,6-trihydroxyphenyl)ethenyl]benzene-1,3,5-triol.

Molecular Properties

Compound Name2-[(E)-2-(2,4,6-trihydroxyphenyl)ethenyl]benzene-1,3,5-triol
PubChem CID10221223
Molecular FormulaC14H12O6
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Name2-[(E)-2-(2,4,6-trihydroxyphenyl)ethenyl]benzene-1,3,5-triol
SMILESOc1cc(O)c(/C=C/c2c(O)cc(O)cc2O)c(O)c1
InChIInChI=1S/C14H12O6/c15-7-3-11(17)9(12(18)4-7)1-2-10-13(19)5-8(16)6-14(10)20/h1-6,15-20H/b2-1+
InChIKeyJMSUYPPKDVGKPP-OWOJBTEDSA-N
XLogP2.09
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.24
LogP ≤ 52.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,4,6-trihydroxyphenyl)ethenyl]benzene-1,3,5-triol?
The IUPAC name of 2-[(E)-2-(2,4,6-trihydroxyphenyl)ethenyl]benzene-1,3,5-triol (CID 10221223) is 2-[(E)-2-(2,4,6-trihydroxyphenyl)ethenyl]benzene-1,3,5-triol.
What is the SMILES notation for 2-[(E)-2-(2,4,6-trihydroxyphenyl)ethenyl]benzene-1,3,5-triol?
The canonical SMILES for 2-[(E)-2-(2,4,6-trihydroxyphenyl)ethenyl]benzene-1,3,5-triol is Oc1cc(O)c(/C=C/c2c(O)cc(O)cc2O)c(O)c1.
What is the InChIKey of 2-[(E)-2-(2,4,6-trihydroxyphenyl)ethenyl]benzene-1,3,5-triol?
The InChIKey is JMSUYPPKDVGKPP-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H12O6/c15-7-3-11(17)9(12(18)4-7)1-2-10-13(19)5-8(16)6-14(10)20/h1-6,15-20H/b2-1+.
What are the key properties of 2-[(E)-2-(2,4,6-trihydroxyphenyl)ethenyl]benzene-1,3,5-triol?
2-[(E)-2-(2,4,6-trihydroxyphenyl)ethenyl]benzene-1,3,5-triol has a molecular weight of 276.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,4,6-trihydroxyphenyl)ethenyl]benzene-1,3,5-triol is sourced from PubChem (CID 10221223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).