2-(hydroxyiminomethyl)-5-methylphenol;iron

C8H9FeNO2 — CID 175124373

IUPAC2-(hydroxyiminomethyl)-5-methylphenol;iron
SMILESCc1ccc(C=NO)c(O)c1.[Fe]
InChIInChI=1S/C8H9NO2.Fe/c1-6-2-3-7(5-9-11)8(10)4-6;/h2-5,10-11H,1H3;
InChIKeyJPBTYSCBPVERNF-UHFFFAOYSA-N
MW207.01 g/mol
LogP1.51
Rot. Bonds1

About 2-(hydroxyiminomethyl)-5-methylphenol;iron

2-(hydroxyiminomethyl)-5-methylphenol;iron (PubChem CID 175124373) has the molecular formula C8H9FeNO2 and a molecular weight of 207.01 g/mol. Its IUPAC name is 2-(hydroxyiminomethyl)-5-methylphenol;iron.

Molecular Properties

Compound Name2-(hydroxyiminomethyl)-5-methylphenol;iron
PubChem CID175124373
Molecular FormulaC8H9FeNO2
Molecular Weight207.01 g/mol
Exact Mass207.00
IUPAC Name2-(hydroxyiminomethyl)-5-methylphenol;iron
SMILESCc1ccc(C=NO)c(O)c1.[Fe]
InChIInChI=1S/C8H9NO2.Fe/c1-6-2-3-7(5-9-11)8(10)4-6;/h2-5,10-11H,1H3;
InChIKeyJPBTYSCBPVERNF-UHFFFAOYSA-N
XLogP1.51
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.01
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyiminomethyl)-5-methylphenol;iron?
The IUPAC name of 2-(hydroxyiminomethyl)-5-methylphenol;iron (CID 175124373) is 2-(hydroxyiminomethyl)-5-methylphenol;iron.
What is the SMILES notation for 2-(hydroxyiminomethyl)-5-methylphenol;iron?
The canonical SMILES for 2-(hydroxyiminomethyl)-5-methylphenol;iron is Cc1ccc(C=NO)c(O)c1.[Fe].
What is the InChIKey of 2-(hydroxyiminomethyl)-5-methylphenol;iron?
The InChIKey is JPBTYSCBPVERNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.Fe/c1-6-2-3-7(5-9-11)8(10)4-6;/h2-5,10-11H,1H3;.
What are the key properties of 2-(hydroxyiminomethyl)-5-methylphenol;iron?
2-(hydroxyiminomethyl)-5-methylphenol;iron has a molecular weight of 207.01 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyiminomethyl)-5-methylphenol;iron is sourced from PubChem (CID 175124373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).