copper;5-hydroxy-2-[[2-[(4-hydroxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;methanol

C22H22CuN2O6 — CID 139078092

IUPACcopper;5-hydroxy-2-[[2-[(4-hydroxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;methanol
SMILESCO.CO.[Cu+2].[O-]c1cc(O)ccc1/C=N/c1ccccc1/N=C/c1ccc(O)cc1[O-]
InChIInChI=1S/C20H16N2O4.2CH4O.Cu/c23-15-7-5-13(19(25)9-15)11-21-17-3-1-2-4-18(17)22-12-14-6-8-16(24)10-20(14)26;2*1-2;/h1-12,23-26H;2*2H,1H3;/q;;;+2/p-2/b21-11+,22-12+;;;
InChIKeyZQQVJGZCDNNCBX-ORHQLOIBSA-L
MW473.97 g/mol
LogP1.96
Rot. Bonds4

About copper;5-hydroxy-2-[[2-[(4-hydroxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;methanol

copper;5-hydroxy-2-[[2-[(4-hydroxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;methanol (PubChem CID 139078092) has the molecular formula C22H22CuN2O6 and a molecular weight of 473.97 g/mol. Its IUPAC name is copper;5-hydroxy-2-[[2-[(4-hydroxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;methanol.

Molecular Properties

Compound Namecopper;5-hydroxy-2-[[2-[(4-hydroxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;methanol
PubChem CID139078092
Molecular FormulaC22H22CuN2O6
Molecular Weight473.97 g/mol
Exact Mass473.08
IUPAC Namecopper;5-hydroxy-2-[[2-[(4-hydroxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;methanol
SMILESCO.CO.[Cu+2].[O-]c1cc(O)ccc1/C=N/c1ccccc1/N=C/c1ccc(O)cc1[O-]
InChIInChI=1S/C20H16N2O4.2CH4O.Cu/c23-15-7-5-13(19(25)9-15)11-21-17-3-1-2-4-18(17)22-12-14-6-8-16(24)10-20(14)26;2*1-2;/h1-12,23-26H;2*2H,1H3;/q;;;+2/p-2/b21-11+,22-12+;;;
InChIKeyZQQVJGZCDNNCBX-ORHQLOIBSA-L
XLogP1.96
TPSA151.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.97
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate
CID 135455554
iron(3+);5-methoxy-2-[[2-[(4-methoxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;chloride
CID 50908685
4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol
CID 135578361
nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
CID 58725494
bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+)
CID 139115041
2-[(4-carboxyphenyl)iminomethyl]-5-hydroxyphenolate
CID 135841988
methanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+))
CID 139177480
4-[[2-[(4-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 135633900
4-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-methylcarbonimidoyl]benzene-1,3-diol
CID 136734563
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258

Frequently Asked Questions

What is the IUPAC name of copper;5-hydroxy-2-[[2-[(4-hydroxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;methanol?
The IUPAC name of copper;5-hydroxy-2-[[2-[(4-hydroxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;methanol (CID 139078092) is copper;5-hydroxy-2-[[2-[(4-hydroxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;methanol.
What is the SMILES notation for copper;5-hydroxy-2-[[2-[(4-hydroxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;methanol?
The canonical SMILES for copper;5-hydroxy-2-[[2-[(4-hydroxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;methanol is CO.CO.[Cu+2].[O-]c1cc(O)ccc1/C=N/c1ccccc1/N=C/c1ccc(O)cc1[O-].
What is the InChIKey of copper;5-hydroxy-2-[[2-[(4-hydroxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;methanol?
The InChIKey is ZQQVJGZCDNNCBX-ORHQLOIBSA-L. The full InChI is InChI=1S/C20H16N2O4.2CH4O.Cu/c23-15-7-5-13(19(25)9-15)11-21-17-3-1-2-4-18(17)22-12-14-6-8-16(24)10-20(14)26;2*1-2;/h1-12,23-26H;2*2H,1H3;/q;;;+2/p-2/b21-11+,22-12+;;;.
What are the key properties of copper;5-hydroxy-2-[[2-[(4-hydroxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;methanol?
copper;5-hydroxy-2-[[2-[(4-hydroxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;methanol has a molecular weight of 473.97 g/mol, XLogP of 1.96, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;5-hydroxy-2-[[2-[(4-hydroxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;methanol is sourced from PubChem (CID 139078092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).