4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium

C22H18I3O2V — CID 157160802

IUPAC4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium
SMILESI[V](I)I.Oc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C22H18O2.3HI.V/c23-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(24)16-12-20;;;;/h1-16,23-24H;3*1H;/q;;;;+3/p-3/b7-5+,8-6+;;;;
InChIKeyAMISVUBJSZBZGS-IVVFPIAUSA-K
MW746.04 g/mol
LogP8.09
Rot. Bonds4

About 4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium

4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium (PubChem CID 157160802) has the molecular formula C22H18I3O2V and a molecular weight of 746.04 g/mol. Its IUPAC name is 4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium.

Molecular Properties

Compound Name4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium
PubChem CID157160802
Molecular FormulaC22H18I3O2V
Molecular Weight746.04 g/mol
Exact Mass745.79
IUPAC Name4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium
SMILESI[V](I)I.Oc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C22H18O2.3HI.V/c23-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(24)16-12-20;;;;/h1-16,23-24H;3*1H;/q;;;;+3/p-3/b7-5+,8-6+;;;;
InChIKeyAMISVUBJSZBZGS-IVVFPIAUSA-K
XLogP8.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.04
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium?
The IUPAC name of 4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium (CID 157160802) is 4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium.
What is the SMILES notation for 4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium?
The canonical SMILES for 4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium is I[V](I)I.Oc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium?
The InChIKey is AMISVUBJSZBZGS-IVVFPIAUSA-K. The full InChI is InChI=1S/C22H18O2.3HI.V/c23-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(24)16-12-20;;;;/h1-16,23-24H;3*1H;/q;;;;+3/p-3/b7-5+,8-6+;;;;.
What are the key properties of 4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium?
4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium has a molecular weight of 746.04 g/mol, XLogP of 8.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium is sourced from PubChem (CID 157160802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).