dicopper bis(5-methoxy-2-(3-oxidopropyliminomethyl)phenolate)

C22H26Cu2N2O6 — CID 139062484

IUPACdicopper bis(5-methoxy-2-(3-oxidopropyliminomethyl)phenolate)
SMILESCOc1ccc(/C=N/CCC[O-])c([O-])c1.COc1ccc(/C=N/CCC[O-])c([O-])c1.[Cu+2].[Cu+2]
InChIInChI=1S/2C11H14NO3.2Cu/c2*1-15-10-4-3-9(11(14)7-10)8-12-5-2-6-13;;/h2*3-4,7-8,14H,2,5-6H2,1H3;;/q2*-1;2*+2/p-2/b2*12-8+;;
InChIKeyGQTKJPFHTPYZQD-PHLYURFASA-L
MW541.55 g/mol
LogP-0.13
Rot. Bonds10

About dicopper bis(5-methoxy-2-(3-oxidopropyliminomethyl)phenolate)

dicopper bis(5-methoxy-2-(3-oxidopropyliminomethyl)phenolate) (PubChem CID 139062484) has the molecular formula C22H26Cu2N2O6 and a molecular weight of 541.55 g/mol. Its IUPAC name is dicopper bis(5-methoxy-2-(3-oxidopropyliminomethyl)phenolate).

Molecular Properties

Compound Namedicopper bis(5-methoxy-2-(3-oxidopropyliminomethyl)phenolate)
PubChem CID139062484
Molecular FormulaC22H26Cu2N2O6
Molecular Weight541.55 g/mol
Exact Mass540.04
IUPAC Namedicopper bis(5-methoxy-2-(3-oxidopropyliminomethyl)phenolate)
SMILESCOc1ccc(/C=N/CCC[O-])c([O-])c1.COc1ccc(/C=N/CCC[O-])c([O-])c1.[Cu+2].[Cu+2]
InChIInChI=1S/2C11H14NO3.2Cu/c2*1-15-10-4-3-9(11(14)7-10)8-12-5-2-6-13;;/h2*3-4,7-8,14H,2,5-6H2,1H3;;/q2*-1;2*+2/p-2/b2*12-8+;;
InChIKeyGQTKJPFHTPYZQD-PHLYURFASA-L
XLogP-0.13
TPSA135.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.55
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

5-methoxy-2-[2-[(4-methoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 102108359
2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol
CID 136618032
iron(3+);5-methoxy-2-[[2-[(4-methoxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;chloride
CID 50908685
5-fluoro-2-[12-[(4-fluoro-2-oxidophenyl)methylideneamino]dodecyliminomethyl]phenolate;platinum(2+)
CID 139164235
copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate
CID 139055616
manganese(3+);5-methoxy-2-[2-[[(Z)-(4-methoxy-6-oxidocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyliminomethyl]phenolate;acetate
CID 44599371
acetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese
CID 135509459
1-(2,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)methanimine
CID 10756725
4-methoxy-2-(2-sulfanylethyliminomethyl)phenol
CID 137210775
2-(ethyliminomethyl)-5-methoxyphenol
CID 144549332
2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol
CID 137082870
dibutyltin(2+);(2S)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-2-phenylacetate
CID 46192093

Frequently Asked Questions

What is the IUPAC name of dicopper bis(5-methoxy-2-(3-oxidopropyliminomethyl)phenolate)?
The IUPAC name of dicopper bis(5-methoxy-2-(3-oxidopropyliminomethyl)phenolate) (CID 139062484) is dicopper bis(5-methoxy-2-(3-oxidopropyliminomethyl)phenolate).
What is the SMILES notation for dicopper bis(5-methoxy-2-(3-oxidopropyliminomethyl)phenolate)?
The canonical SMILES for dicopper bis(5-methoxy-2-(3-oxidopropyliminomethyl)phenolate) is COc1ccc(/C=N/CCC[O-])c([O-])c1.COc1ccc(/C=N/CCC[O-])c([O-])c1.[Cu+2].[Cu+2].
What is the InChIKey of dicopper bis(5-methoxy-2-(3-oxidopropyliminomethyl)phenolate)?
The InChIKey is GQTKJPFHTPYZQD-PHLYURFASA-L. The full InChI is InChI=1S/2C11H14NO3.2Cu/c2*1-15-10-4-3-9(11(14)7-10)8-12-5-2-6-13;;/h2*3-4,7-8,14H,2,5-6H2,1H3;;/q2*-1;2*+2/p-2/b2*12-8+;;.
What are the key properties of dicopper bis(5-methoxy-2-(3-oxidopropyliminomethyl)phenolate)?
dicopper bis(5-methoxy-2-(3-oxidopropyliminomethyl)phenolate) has a molecular weight of 541.55 g/mol, XLogP of -0.13, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper bis(5-methoxy-2-(3-oxidopropyliminomethyl)phenolate) is sourced from PubChem (CID 139062484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).