copper;2-[(Z)-hydroxyiminomethyl]phenol;2-[(Z)-oxidoiminomethyl]phenolate

C14H12CuN2O4 — CID 170839629

IUPACcopper;2-[(Z)-hydroxyiminomethyl]phenol;2-[(Z)-oxidoiminomethyl]phenolate
SMILESO/N=C\c1ccccc1O.[Cu+2].[O-]/N=C\c1ccccc1[O-]
InChIInChI=1S/2C7H7NO2.Cu/c2*9-7-4-2-1-3-6(7)5-8-10;/h2*1-5,9-10H;/q;;+2/p-2/b2*8-5-;
InChIKeyQTKMBUNAMYZSFC-ZFRXQFBVSA-L
MW335.81 g/mol
LogP1.87
Rot. Bonds2

About copper;2-[(Z)-hydroxyiminomethyl]phenol;2-[(Z)-oxidoiminomethyl]phenolate

copper;2-[(Z)-hydroxyiminomethyl]phenol;2-[(Z)-oxidoiminomethyl]phenolate (PubChem CID 170839629) has the molecular formula C14H12CuN2O4 and a molecular weight of 335.81 g/mol. Its IUPAC name is copper;2-[(Z)-hydroxyiminomethyl]phenol;2-[(Z)-oxidoiminomethyl]phenolate.

Molecular Properties

Compound Namecopper;2-[(Z)-hydroxyiminomethyl]phenol;2-[(Z)-oxidoiminomethyl]phenolate
PubChem CID170839629
Molecular FormulaC14H12CuN2O4
Molecular Weight335.81 g/mol
Exact Mass335.01
IUPAC Namecopper;2-[(Z)-hydroxyiminomethyl]phenol;2-[(Z)-oxidoiminomethyl]phenolate
SMILESO/N=C\c1ccccc1O.[Cu+2].[O-]/N=C\c1ccccc1[O-]
InChIInChI=1S/2C7H7NO2.Cu/c2*9-7-4-2-1-3-6(7)5-8-10;/h2*1-5,9-10H;/q;;+2/p-2/b2*8-5-;
InChIKeyQTKMBUNAMYZSFC-ZFRXQFBVSA-L
XLogP1.87
TPSA111.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

copper 2-[(E)-hydroxyiminomethyl]phenol
CID 135422084
cobalt;bis(2-(hydroxyiminomethyl)phenol)
CID 158420458
sodium;hydride;2-[(Z)-hydroxyiminomethyl]phenol
CID 173437393
5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate
CID 135455554
nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
CID 58725494
bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+)
CID 139115041
potassium;holmium(3+);bis(2-[[(1R,2R)-2-[(2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate)
CID 139247890
copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate
CID 139055616
zinc 2-(methyliminomethyl)phenol
CID 135422153
2-[(E)-fluoroiminomethyl]phenol
CID 137273576
ethane;2-(methyliminomethyl)phenol
CID 136650397
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264

Frequently Asked Questions

What is the IUPAC name of copper;2-[(Z)-hydroxyiminomethyl]phenol;2-[(Z)-oxidoiminomethyl]phenolate?
The IUPAC name of copper;2-[(Z)-hydroxyiminomethyl]phenol;2-[(Z)-oxidoiminomethyl]phenolate (CID 170839629) is copper;2-[(Z)-hydroxyiminomethyl]phenol;2-[(Z)-oxidoiminomethyl]phenolate.
What is the SMILES notation for copper;2-[(Z)-hydroxyiminomethyl]phenol;2-[(Z)-oxidoiminomethyl]phenolate?
The canonical SMILES for copper;2-[(Z)-hydroxyiminomethyl]phenol;2-[(Z)-oxidoiminomethyl]phenolate is O/N=C\c1ccccc1O.[Cu+2].[O-]/N=C\c1ccccc1[O-].
What is the InChIKey of copper;2-[(Z)-hydroxyiminomethyl]phenol;2-[(Z)-oxidoiminomethyl]phenolate?
The InChIKey is QTKMBUNAMYZSFC-ZFRXQFBVSA-L. The full InChI is InChI=1S/2C7H7NO2.Cu/c2*9-7-4-2-1-3-6(7)5-8-10;/h2*1-5,9-10H;/q;;+2/p-2/b2*8-5-;.
What are the key properties of copper;2-[(Z)-hydroxyiminomethyl]phenol;2-[(Z)-oxidoiminomethyl]phenolate?
copper;2-[(Z)-hydroxyiminomethyl]phenol;2-[(Z)-oxidoiminomethyl]phenolate has a molecular weight of 335.81 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-[(Z)-hydroxyiminomethyl]phenol;2-[(Z)-oxidoiminomethyl]phenolate is sourced from PubChem (CID 170839629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).