copper 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol

C20H16CuN2O2+2 — CID 135422124

IUPACcopper 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1O.[Cu+2]
InChIInChI=1S/C20H16N2O2.Cu/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-14,23-24H;/q;+2/b21-13+,22-14+;
InChIKeyWXYRIKOCWQEJNI-JKBLJYNNSA-N
MW379.91 g/mol
LogP4.60
Rot. Bonds4

About copper 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol

copper 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol (PubChem CID 135422124) has the molecular formula C20H16CuN2O2+2 and a molecular weight of 379.91 g/mol. Its IUPAC name is copper 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol.

Molecular Properties

Compound Namecopper 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
PubChem CID135422124
Molecular FormulaC20H16CuN2O2+2
Molecular Weight379.91 g/mol
Exact Mass379.05
IUPAC Namecopper 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1O.[Cu+2]
InChIInChI=1S/C20H16N2O2.Cu/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-14,23-24H;/q;+2/b21-13+,22-14+;
InChIKeyWXYRIKOCWQEJNI-JKBLJYNNSA-N
XLogP4.60
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol?
The IUPAC name of copper 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol (CID 135422124) is copper 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol.
What is the SMILES notation for copper 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol?
The canonical SMILES for copper 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1O.[Cu+2].
What is the InChIKey of copper 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol?
The InChIKey is WXYRIKOCWQEJNI-JKBLJYNNSA-N. The full InChI is InChI=1S/C20H16N2O2.Cu/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-14,23-24H;/q;+2/b21-13+,22-14+;.
What are the key properties of copper 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol?
copper 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol has a molecular weight of 379.91 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol is sourced from PubChem (CID 135422124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).