4-[(E)-[3-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenoxy]iminomethyl]phenol

C28H23N3O4 — CID 135462076

IUPAC4-[(E)-[3-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenoxy]iminomethyl]phenol
SMILESOc1ccc(/C=N/Oc2cccc(/C=N/Oc3cccc(/C=N/OCc4ccccc4)c3)c2)cc1
InChIInChI=1S/C28H23N3O4/c32-26-14-12-22(13-15-26)18-30-34-28-11-5-9-25(17-28)20-31-35-27-10-4-8-24(16-27)19-29-33-21-23-6-2-1-3-7-23/h1-20,32H,21H2/b29-19+,30-18+,31-20+
InChIKeyKZTWVTHWLYKBKN-FPPLZGRSSA-N
MW465.51 g/mol
LogP5.77
Rot. Bonds10

About 4-[(E)-[3-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenoxy]iminomethyl]phenol

4-[(E)-[3-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenoxy]iminomethyl]phenol (PubChem CID 135462076) has the molecular formula C28H23N3O4 and a molecular weight of 465.51 g/mol. Its IUPAC name is 4-[(E)-[3-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenoxy]iminomethyl]phenol.

Molecular Properties

Compound Name4-[(E)-[3-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenoxy]iminomethyl]phenol
PubChem CID135462076
Molecular FormulaC28H23N3O4
Molecular Weight465.51 g/mol
Exact Mass465.17
IUPAC Name4-[(E)-[3-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenoxy]iminomethyl]phenol
SMILESOc1ccc(/C=N/Oc2cccc(/C=N/Oc3cccc(/C=N/OCc4ccccc4)c3)c2)cc1
InChIInChI=1S/C28H23N3O4/c32-26-14-12-22(13-15-26)18-30-34-28-11-5-9-25(17-28)20-31-35-27-10-4-8-24(16-27)19-29-33-21-23-6-2-1-3-7-23/h1-20,32H,21H2/b29-19+,30-18+,31-20+
InChIKeyKZTWVTHWLYKBKN-FPPLZGRSSA-N
XLogP5.77
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(E)-[3-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenoxy]iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
(E)-1-(4-methoxyphenyl)-N-phenylmethoxymethanimine
CID 11499688
2-methoxy-4-[(E)-phenylmethoxyiminomethyl]phenol
CID 136913659
(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
CID 117060747
3-[(E)-benzylideneamino]oxybenzoic acid
CID 11333939
4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol
CID 135580355
1-(1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine
CID 57207956
(E)-1-phenyl-N-[3-(trifluoromethyl)phenoxy]methanimine
CID 11357564
1-(4-chlorophenyl)-N-[(3-chlorophenyl)methoxy]methanimine
CID 76856286
(E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine
CID 13147214
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
(3-phenylmethoxyphenyl)methylidenehydrazine
CID 23916805

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[3-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenoxy]iminomethyl]phenol?
The IUPAC name of 4-[(E)-[3-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenoxy]iminomethyl]phenol (CID 135462076) is 4-[(E)-[3-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenoxy]iminomethyl]phenol.
What is the SMILES notation for 4-[(E)-[3-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenoxy]iminomethyl]phenol?
The canonical SMILES for 4-[(E)-[3-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenoxy]iminomethyl]phenol is Oc1ccc(/C=N/Oc2cccc(/C=N/Oc3cccc(/C=N/OCc4ccccc4)c3)c2)cc1.
What is the InChIKey of 4-[(E)-[3-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenoxy]iminomethyl]phenol?
The InChIKey is KZTWVTHWLYKBKN-FPPLZGRSSA-N. The full InChI is InChI=1S/C28H23N3O4/c32-26-14-12-22(13-15-26)18-30-34-28-11-5-9-25(17-28)20-31-35-27-10-4-8-24(16-27)19-29-33-21-23-6-2-1-3-7-23/h1-20,32H,21H2/b29-19+,30-18+,31-20+.
What are the key properties of 4-[(E)-[3-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenoxy]iminomethyl]phenol?
4-[(E)-[3-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenoxy]iminomethyl]phenol has a molecular weight of 465.51 g/mol, XLogP of 5.77, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[3-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenoxy]iminomethyl]phenol is sourced from PubChem (CID 135462076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).