N-hydroxy-4-methoxy-2-methylbenzeneamine oxide

C8H11NO3 — CID 163166286

IUPACN-hydroxy-4-methoxy-2-methylbenzeneamine oxide
SMILESCOc1ccc([NH+]([O-])O)c(C)c1
InChIInChI=1S/C8H11NO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5,9-10H,1-2H3
InChIKeySVQLVIZPFYRWCV-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.41
Rot. Bonds2

About N-hydroxy-4-methoxy-2-methylbenzeneamine oxide

N-hydroxy-4-methoxy-2-methylbenzeneamine oxide (PubChem CID 163166286) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-hydroxy-4-methoxy-2-methylbenzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-4-methoxy-2-methylbenzeneamine oxide
PubChem CID163166286
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC NameN-hydroxy-4-methoxy-2-methylbenzeneamine oxide
SMILESCOc1ccc([NH+]([O-])O)c(C)c1
InChIInChI=1S/C8H11NO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5,9-10H,1-2H3
InChIKeySVQLVIZPFYRWCV-UHFFFAOYSA-N
XLogP0.41
TPSA56.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-6-methoxy-1,4-dimethyl-9H-carbazol-3-amine oxide
CID 21142511
4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
4-methoxy-2-methyl-1-prop-1-en-2-ylbenzene
CID 90442837
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
1-fluoro-4-methoxy-2-methylbenzene;methanamine
CID 142516240
ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene
CID 171649028
4-methoxy-2-methyl-1-[methyl(phenyl)phosphoryl]benzene
CID 14790520
N-hydroxy-7-methoxy-4-methyl-9-(2-propanoyloxyethylamino)acridin-1-amine oxide
CID 10156910
ethane;4-methoxy-2-methyl-1-nitrobenzene
CID 142240098
7-methoxy-1,4-dimethylisoquinoline
CID 72544129

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-methoxy-2-methylbenzeneamine oxide?
The IUPAC name of N-hydroxy-4-methoxy-2-methylbenzeneamine oxide (CID 163166286) is N-hydroxy-4-methoxy-2-methylbenzeneamine oxide.
What is the SMILES notation for N-hydroxy-4-methoxy-2-methylbenzeneamine oxide?
The canonical SMILES for N-hydroxy-4-methoxy-2-methylbenzeneamine oxide is COc1ccc([NH+]([O-])O)c(C)c1.
What is the InChIKey of N-hydroxy-4-methoxy-2-methylbenzeneamine oxide?
The InChIKey is SVQLVIZPFYRWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5,9-10H,1-2H3.
What are the key properties of N-hydroxy-4-methoxy-2-methylbenzeneamine oxide?
N-hydroxy-4-methoxy-2-methylbenzeneamine oxide has a molecular weight of 169.18 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-methoxy-2-methylbenzeneamine oxide is sourced from PubChem (CID 163166286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).