2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)

C16H16MnN2O2+2 — CID 135568472

IUPAC2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
SMILESOc1ccccc1/C=N/CC/N=C/c1ccccc1O.[Mn+2]
InChIInChI=1S/C16H16N2O2.Mn/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;/h1-8,11-12,19-20H,9-10H2;/q;+2/b17-11+,18-12+;
InChIKeyNTVWCXCBGJMISE-OYJDLGDISA-N
MW323.25 g/mol
LogP2.63
Rot. Bonds5

About 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)

2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+) (PubChem CID 135568472) has the molecular formula C16H16MnN2O2+2 and a molecular weight of 323.25 g/mol. Its IUPAC name is 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+).

Molecular Properties

Compound Name2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
PubChem CID135568472
Molecular FormulaC16H16MnN2O2+2
Molecular Weight323.25 g/mol
Exact Mass323.06
IUPAC Name2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
SMILESOc1ccccc1/C=N/CC/N=C/c1ccccc1O.[Mn+2]
InChIInChI=1S/C16H16N2O2.Mn/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;/h1-8,11-12,19-20H,9-10H2;/q;+2/b17-11+,18-12+;
InChIKeyNTVWCXCBGJMISE-OYJDLGDISA-N
XLogP2.63
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.63
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)?
The IUPAC name of 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+) (CID 135568472) is 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+).
What is the SMILES notation for 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)?
The canonical SMILES for 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+) is Oc1ccccc1/C=N/CC/N=C/c1ccccc1O.[Mn+2].
What is the InChIKey of 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)?
The InChIKey is NTVWCXCBGJMISE-OYJDLGDISA-N. The full InChI is InChI=1S/C16H16N2O2.Mn/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;/h1-8,11-12,19-20H,9-10H2;/q;+2/b17-11+,18-12+;.
What are the key properties of 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)?
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+) has a molecular weight of 323.25 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+) is sourced from PubChem (CID 135568472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).