copper 2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate

C16H14CuN2O2 — CID 12544621

IUPACcopper 2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
SMILES[Cu+2].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-]
InChIInChI=1S/C16H16N2O2.Cu/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;/h1-8,11-12,19-20H,9-10H2;/q;+2/p-2/b17-11+,18-12+;
InChIKeyOVGGMUBDQYQVAM-OYJDLGDISA-L
MW329.85 g/mol
LogP1.37
Rot. Bonds5

About copper 2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate

copper 2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate (PubChem CID 12544621) has the molecular formula C16H14CuN2O2 and a molecular weight of 329.85 g/mol. Its IUPAC name is copper 2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate.

Molecular Properties

Compound Namecopper 2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
PubChem CID12544621
Molecular FormulaC16H14CuN2O2
Molecular Weight329.85 g/mol
Exact Mass329.04
IUPAC Namecopper 2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
SMILES[Cu+2].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-]
InChIInChI=1S/C16H16N2O2.Cu/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;/h1-8,11-12,19-20H,9-10H2;/q;+2/p-2/b17-11+,18-12+;
InChIKeyOVGGMUBDQYQVAM-OYJDLGDISA-L
XLogP1.37
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-Disalicylidene-1,2-propanediamine
CID 7210
N,N'-Bis(salicylidene)ethylenediamine
CID 26518
N,N'-Bis(salicylidene)-1,3-propanediamine
CID 67125
Phenol, 2,2'-[1,6-hexanediylbis(nitrilomethylidyne)]bis-
CID 260228
Phenol, 2,2'-[1,2-cyclohexanediylbis(nitrilomethylidyne)]bis-
CID 115824
N,N'-Bis(salicylidene)-1,4-butanediamine
CID 482317
2H-1,2lambda~6~,3-Benzoxathiazine-2,2-dione
CID 12712805
Salicylaldazine
CID 135400567
(2,3'-Bis(((2-hydroxyphenyl)methylene)amino)but-2-enedinitrilato(2-)-N2,N3,O2,O3)nickel
CID 159476041
2-Methoxybenzaldehyde azine
CID 9575478
2-{(1Z)-1-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]ethyl}phenol
CID 135635666
Norletimol
CID 71643

Frequently Asked Questions

What is the IUPAC name of copper 2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
The IUPAC name of copper 2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate (CID 12544621) is copper 2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate.
What is the SMILES notation for copper 2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
The canonical SMILES for copper 2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate is [Cu+2].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].
What is the InChIKey of copper 2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
The InChIKey is OVGGMUBDQYQVAM-OYJDLGDISA-L. The full InChI is InChI=1S/C16H16N2O2.Cu/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;/h1-8,11-12,19-20H,9-10H2;/q;+2/p-2/b17-11+,18-12+;.
What are the key properties of copper 2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
copper 2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate has a molecular weight of 329.85 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper 2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate is sourced from PubChem (CID 12544621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).