copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate

C18H18CuN2O2 — CID 139055616

IUPACcopper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate
SMILES[Cu+2].[O-]c1ccccc1/C=N/CCCC/N=C/c1ccccc1[O-]
InChIInChI=1S/C18H20N2O2.Cu/c21-17-9-3-1-7-15(17)13-19-11-5-6-12-20-14-16-8-2-4-10-18(16)22;/h1-4,7-10,13-14,21-22H,5-6,11-12H2;/q;+2/p-2/b19-13+,20-14+;
InChIKeyOJMWCBFIRUCRAK-WKLZLTIDSA-L
MW357.90 g/mol
LogP2.15
Rot. Bonds7

About copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate

copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate (PubChem CID 139055616) has the molecular formula C18H18CuN2O2 and a molecular weight of 357.90 g/mol. Its IUPAC name is copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate.

Molecular Properties

Compound Namecopper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate
PubChem CID139055616
Molecular FormulaC18H18CuN2O2
Molecular Weight357.90 g/mol
Exact Mass357.07
IUPAC Namecopper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate
SMILES[Cu+2].[O-]c1ccccc1/C=N/CCCC/N=C/c1ccccc1[O-]
InChIInChI=1S/C18H20N2O2.Cu/c21-17-9-3-1-7-15(17)13-19-11-5-6-12-20-14-16-8-2-4-10-18(16)22;/h1-4,7-10,13-14,21-22H,5-6,11-12H2;/q;+2/p-2/b19-13+,20-14+;
InChIKeyOJMWCBFIRUCRAK-WKLZLTIDSA-L
XLogP2.15
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.90
LogP ≤ 52.15
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

manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 6711806
chloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate)
CID 139067410
trizinc;bis(2-[3-[(2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate);diacetate
CID 139058151
sodium 2-(propyliminomethyl)phenolate
CID 102119842
manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;isothiocyanate
CID 139074438
bis(N,N-dimethylformamide);bis(iron(3+));bis(2-[3-[(2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate);dihydroxide
CID 139076139
hexakis(manganese(3+));tetrakis(oxido(dioxo)vanadium);hexakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);diperchlorate;octahydrate
CID 139261434
bis(2-hydroxybenzoate);manganese(2+);methanol;tetrakis(nickel(2+));tetrakis(2-[3-[(2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate)
CID 139142090
2-[4-[(2-sulfanylphenyl)methylideneamino]butyliminomethyl]benzenethiol
CID 136866170
2-(2-piperazin-4-ium-1-ylethyliminomethyl)phenolate
CID 152752867
2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(pyridine);uranium(4+);iodide
CID 139052351
5-fluoro-2-[12-[(4-fluoro-2-oxidophenyl)methylideneamino]dodecyliminomethyl]phenolate;platinum(2+)
CID 139164235

Frequently Asked Questions

What is the IUPAC name of copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate?
The IUPAC name of copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate (CID 139055616) is copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate.
What is the SMILES notation for copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate?
The canonical SMILES for copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate is [Cu+2].[O-]c1ccccc1/C=N/CCCC/N=C/c1ccccc1[O-].
What is the InChIKey of copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate?
The InChIKey is OJMWCBFIRUCRAK-WKLZLTIDSA-L. The full InChI is InChI=1S/C18H20N2O2.Cu/c21-17-9-3-1-7-15(17)13-19-11-5-6-12-20-14-16-8-2-4-10-18(16)22;/h1-4,7-10,13-14,21-22H,5-6,11-12H2;/q;+2/p-2/b19-13+,20-14+;.
What are the key properties of copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate?
copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate has a molecular weight of 357.90 g/mol, XLogP of 2.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate is sourced from PubChem (CID 139055616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).