3,5-bis[(E)-2-(4-hydroxyphenyl)ethenyl]phenol

C22H18O3 — CID 44594137

IUPAC3,5-bis[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
SMILESOc1ccc(/C=C/c2cc(O)cc(/C=C/c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C22H18O3/c23-20-9-5-16(6-10-20)1-3-18-13-19(15-22(25)14-18)4-2-17-7-11-21(24)12-8-17/h1-15,23-25H/b3-1+,4-2+
InChIKeyICUPUOLNNGGWKO-ZPUQHVIOSA-N
MW330.38 g/mol
LogP5.14
Rot. Bonds4

About 3,5-bis[(E)-2-(4-hydroxyphenyl)ethenyl]phenol

3,5-bis[(E)-2-(4-hydroxyphenyl)ethenyl]phenol (PubChem CID 44594137) has the molecular formula C22H18O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3,5-bis[(E)-2-(4-hydroxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Name3,5-bis[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
PubChem CID44594137
Molecular FormulaC22H18O3
Molecular Weight330.38 g/mol
Exact Mass330.13
IUPAC Name3,5-bis[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
SMILESOc1ccc(/C=C/c2cc(O)cc(/C=C/c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C22H18O3/c23-20-9-5-16(6-10-20)1-3-18-13-19(15-22(25)14-18)4-2-17-7-11-21(24)12-8-17/h1-15,23-25H/b3-1+,4-2+
InChIKeyICUPUOLNNGGWKO-ZPUQHVIOSA-N
XLogP5.14
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.38
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(E)-2-(4-hydroxyphenyl)ethenyl]phenol?
The IUPAC name of 3,5-bis[(E)-2-(4-hydroxyphenyl)ethenyl]phenol (CID 44594137) is 3,5-bis[(E)-2-(4-hydroxyphenyl)ethenyl]phenol.
What is the SMILES notation for 3,5-bis[(E)-2-(4-hydroxyphenyl)ethenyl]phenol?
The canonical SMILES for 3,5-bis[(E)-2-(4-hydroxyphenyl)ethenyl]phenol is Oc1ccc(/C=C/c2cc(O)cc(/C=C/c3ccc(O)cc3)c2)cc1.
What is the InChIKey of 3,5-bis[(E)-2-(4-hydroxyphenyl)ethenyl]phenol?
The InChIKey is ICUPUOLNNGGWKO-ZPUQHVIOSA-N. The full InChI is InChI=1S/C22H18O3/c23-20-9-5-16(6-10-20)1-3-18-13-19(15-22(25)14-18)4-2-17-7-11-21(24)12-8-17/h1-15,23-25H/b3-1+,4-2+.
What are the key properties of 3,5-bis[(E)-2-(4-hydroxyphenyl)ethenyl]phenol?
3,5-bis[(E)-2-(4-hydroxyphenyl)ethenyl]phenol has a molecular weight of 330.38 g/mol, XLogP of 5.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(E)-2-(4-hydroxyphenyl)ethenyl]phenol is sourced from PubChem (CID 44594137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).