2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenol

C14H12N2O4 — CID 3431183

IUPAC2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenol
SMILESCc1ccc(O)c(/N=C/c2cccc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C14H12N2O4/c1-9-5-6-13(17)11(7-9)15-8-10-3-2-4-12(14(10)18)16(19)20/h2-8,17-18H,1H3/b15-8+
InChIKeyJQLFEPYHTARBMV-OVCLIPMQSA-N
MW272.26 g/mol
LogP3.07
Rot. Bonds3

About 2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenol

2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenol (PubChem CID 3431183) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenol.

Molecular Properties

Compound Name2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenol
PubChem CID3431183
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenol
SMILESCc1ccc(O)c(/N=C/c2cccc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C14H12N2O4/c1-9-5-6-13(17)11(7-9)15-8-10-3-2-4-12(14(10)18)16(19)20/h2-8,17-18H,1H3/b15-8+
InChIKeyJQLFEPYHTARBMV-OVCLIPMQSA-N
XLogP3.07
TPSA95.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenol?
The IUPAC name of 2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenol (CID 3431183) is 2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenol.
What is the SMILES notation for 2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenol?
The canonical SMILES for 2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenol is Cc1ccc(O)c(/N=C/c2cccc([N+](=O)[O-])c2O)c1.
What is the InChIKey of 2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenol?
The InChIKey is JQLFEPYHTARBMV-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-9-5-6-13(17)11(7-9)15-8-10-3-2-4-12(14(10)18)16(19)20/h2-8,17-18H,1H3/b15-8+.
What are the key properties of 2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenol?
2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenol has a molecular weight of 272.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenol is sourced from PubChem (CID 3431183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).