[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]imino-iminoazanium

C14H12N3O+ — CID 122609324

IUPAC[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]imino-iminoazanium
SMILESN=[N+]=Nc1ccc(/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C14H11N3O/c15-17-16-13-7-3-11(4-8-13)1-2-12-5-9-14(18)10-6-12/h1-10,15H/p+1
InChIKeyHVOZXOBZNUOHKU-UHFFFAOYSA-O
MW238.27 g/mol
LogP3.74
Rot. Bonds3

About [4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]imino-iminoazanium

[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]imino-iminoazanium (PubChem CID 122609324) has the molecular formula C14H12N3O+ and a molecular weight of 238.27 g/mol. Its IUPAC name is [4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]imino-iminoazanium.

Molecular Properties

Compound Name[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]imino-iminoazanium
PubChem CID122609324
Molecular FormulaC14H12N3O+
Molecular Weight238.27 g/mol
Exact Mass238.10
IUPAC Name[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]imino-iminoazanium
SMILESN=[N+]=Nc1ccc(/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C14H11N3O/c15-17-16-13-7-3-11(4-8-13)1-2-12-5-9-14(18)10-6-12/h1-10,15H/p+1
InChIKeyHVOZXOBZNUOHKU-UHFFFAOYSA-O
XLogP3.74
TPSA70.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium
CID 157160802
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-(2-phenylethenyl)phenol
CID 157400568
4-[2-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54294164
4-[(Z)-2-[4-(dimethylaminodiazenyl)phenyl]ethenyl]phenol
CID 174506798
4-[(E)-2-(4-chlorophenyl)ethenyl]phenol
CID 5376643
4-[(Z)-2-(4-aminophenyl)ethenyl]phenol
CID 25021233
4-[6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol
CID 73020850
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
4-[2-[4-[[4-[2-(3,4-dihydroxyphenyl)ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzene-1,2-diol
CID 136610654
4-[2-(4-phenylphenyl)ethenyl]phenol
CID 73178657
4-[2-(4-azidophenyl)ethenyl]benzaldehyde
CID 4829281

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]imino-iminoazanium?
The IUPAC name of [4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]imino-iminoazanium (CID 122609324) is [4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]imino-iminoazanium.
What is the SMILES notation for [4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]imino-iminoazanium?
The canonical SMILES for [4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]imino-iminoazanium is N=[N+]=Nc1ccc(/C=C/c2ccc(O)cc2)cc1.
What is the InChIKey of [4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]imino-iminoazanium?
The InChIKey is HVOZXOBZNUOHKU-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H11N3O/c15-17-16-13-7-3-11(4-8-13)1-2-12-5-9-14(18)10-6-12/h1-10,15H/p+1.
What are the key properties of [4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]imino-iminoazanium?
[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]imino-iminoazanium has a molecular weight of 238.27 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]imino-iminoazanium is sourced from PubChem (CID 122609324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).