2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;iron

C20H16FeN2O2 — CID 135431476

IUPAC2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;iron
SMILESOc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1O.[Fe]
InChIInChI=1S/C20H16N2O2.Fe/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;/b21-13+,22-14+;
InChIKeySWIVGPGUUYTNNS-JKBLJYNNSA-N
MW372.21 g/mol
LogP4.60
Rot. Bonds4

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

2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;iron (PubChem CID 135431476) has the molecular formula C20H16FeN2O2 and a molecular weight of 372.21 g/mol. Its IUPAC name is 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;iron.

Molecular Properties

Compound Name2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;iron
PubChem CID135431476
Molecular FormulaC20H16FeN2O2
Molecular Weight372.21 g/mol
Exact Mass372.06
IUPAC Name2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;iron
SMILESOc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1O.[Fe]
InChIInChI=1S/C20H16N2O2.Fe/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;/b21-13+,22-14+;
InChIKeySWIVGPGUUYTNNS-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 ≤ 500372.21
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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]phenyl]iminomethyl]phenol;iron?
The IUPAC name of 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;iron (CID 135431476) is 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;iron.
What is the SMILES notation for 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;iron?
The canonical SMILES for 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;iron is Oc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1O.[Fe].
What is the InChIKey of 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;iron?
The InChIKey is SWIVGPGUUYTNNS-JKBLJYNNSA-N. The full InChI is InChI=1S/C20H16N2O2.Fe/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;/b21-13+,22-14+;.
What are the key properties of 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;iron?
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;iron has a molecular weight of 372.21 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 2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;iron is sourced from PubChem (CID 135431476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).