N-hydroxy-3-[(4-hydroxyphenyl)methylideneamino]benzeneamine oxide

C13H12N2O3 — CID 135801223

IUPACN-hydroxy-3-[(4-hydroxyphenyl)methylideneamino]benzeneamine oxide
SMILES[O-][NH+](O)c1cccc(/N=C/c2ccc(O)cc2)c1
InChIInChI=1S/C13H12N2O3/c16-13-6-4-10(5-7-13)9-14-11-2-1-3-12(8-11)15(17)18/h1-9,15-17H/b14-9+
InChIKeyURGJYPOENZZGMY-NTEUORMPSA-N
MW244.25 g/mol
LogP1.55
Rot. Bonds3

About N-hydroxy-3-[(4-hydroxyphenyl)methylideneamino]benzeneamine oxide

N-hydroxy-3-[(4-hydroxyphenyl)methylideneamino]benzeneamine oxide (PubChem CID 135801223) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-hydroxy-3-[(4-hydroxyphenyl)methylideneamino]benzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-3-[(4-hydroxyphenyl)methylideneamino]benzeneamine oxide
PubChem CID135801223
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC NameN-hydroxy-3-[(4-hydroxyphenyl)methylideneamino]benzeneamine oxide
SMILES[O-][NH+](O)c1cccc(/N=C/c2ccc(O)cc2)c1
InChIInChI=1S/C13H12N2O3/c16-13-6-4-10(5-7-13)9-14-11-2-1-3-12(8-11)15(17)18/h1-9,15-17H/b14-9+
InChIKeyURGJYPOENZZGMY-NTEUORMPSA-N
XLogP1.55
TPSA80.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-bromophenyl)iminomethyl]phenol
CID 868394
4-[(3-chlorophenyl)iminomethyl]phenol
CID 4592750
1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone
CID 135406080
4-[[2-[(4-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 135633900
4-[[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]iminomethyl]phenol
CID 137088957
4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol
CID 3085874
N-(3-bromophenyl)-1-(4-bromophenyl)methanimine
CID 525653
1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone
CID 1272171
4-[(3-phenylphenyl)methylideneamino]phenol
CID 4862070
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
4-[(4-hydroxyphenyl)methylideneamino]benzoic acid
CID 2306645
4-[[4-(4-aminophenyl)phenyl]iminomethyl]phenol
CID 136697386

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[(4-hydroxyphenyl)methylideneamino]benzeneamine oxide?
The IUPAC name of N-hydroxy-3-[(4-hydroxyphenyl)methylideneamino]benzeneamine oxide (CID 135801223) is N-hydroxy-3-[(4-hydroxyphenyl)methylideneamino]benzeneamine oxide.
What is the SMILES notation for N-hydroxy-3-[(4-hydroxyphenyl)methylideneamino]benzeneamine oxide?
The canonical SMILES for N-hydroxy-3-[(4-hydroxyphenyl)methylideneamino]benzeneamine oxide is [O-][NH+](O)c1cccc(/N=C/c2ccc(O)cc2)c1.
What is the InChIKey of N-hydroxy-3-[(4-hydroxyphenyl)methylideneamino]benzeneamine oxide?
The InChIKey is URGJYPOENZZGMY-NTEUORMPSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-13-6-4-10(5-7-13)9-14-11-2-1-3-12(8-11)15(17)18/h1-9,15-17H/b14-9+.
What are the key properties of N-hydroxy-3-[(4-hydroxyphenyl)methylideneamino]benzeneamine oxide?
N-hydroxy-3-[(4-hydroxyphenyl)methylideneamino]benzeneamine oxide has a molecular weight of 244.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[(4-hydroxyphenyl)methylideneamino]benzeneamine oxide is sourced from PubChem (CID 135801223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).