2-aminooxy-5-methylphenol;ethane

C9H15NO2 — CID 144810580

IUPAC2-aminooxy-5-methylphenol;ethane
SMILESCC.Cc1ccc(ON)c(O)c1
InChIInChI=1S/C7H9NO2.C2H6/c1-5-2-3-7(10-8)6(9)4-5;1-2/h2-4,9H,8H2,1H3;1-2H3
InChIKeyKDINHLHSUQKKNW-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.98
Rot. Bonds1

About 2-aminooxy-5-methylphenol;ethane

2-aminooxy-5-methylphenol;ethane (PubChem CID 144810580) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-aminooxy-5-methylphenol;ethane.

Molecular Properties

Compound Name2-aminooxy-5-methylphenol;ethane
PubChem CID144810580
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-aminooxy-5-methylphenol;ethane
SMILESCC.Cc1ccc(ON)c(O)c1
InChIInChI=1S/C7H9NO2.C2H6/c1-5-2-3-7(10-8)6(9)4-5;1-2/h2-4,9H,8H2,1H3;1-2H3
InChIKeyKDINHLHSUQKKNW-UHFFFAOYSA-N
XLogP1.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-aminooxy-5-methylphenol;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
(2-hydroxy-4-methylphenyl) formate
CID 58909986
2-aminooxy-5-(dimethylamino)phenol
CID 58369946
2-aminooxy-5-methylbenzoic acid
CID 154678313
(2-hydroxy-4-methylphenyl) hydrogen sulfate
CID 54104170
2,5-dimethylphenol;ethane
CID 143419778
2-(2-methoxyethoxy)-5-methylphenol
CID 89108915
ethyl 2-(2-hydroxy-4-methylphenoxy)acetate
CID 67510779
bis(4-methylbenzene-1,2-diol);zirconium
CID 23558294
amino 2-hydroxy-4-methylbenzoate
CID 174368722
tris(2-hydroxy-5-methylphenyl) phosphite
CID 101310923
sodium;hydride;2-methoxy-4-methylphenol
CID 174706082

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-5-methylphenol;ethane?
The IUPAC name of 2-aminooxy-5-methylphenol;ethane (CID 144810580) is 2-aminooxy-5-methylphenol;ethane.
What is the SMILES notation for 2-aminooxy-5-methylphenol;ethane?
The canonical SMILES for 2-aminooxy-5-methylphenol;ethane is CC.Cc1ccc(ON)c(O)c1.
What is the InChIKey of 2-aminooxy-5-methylphenol;ethane?
The InChIKey is KDINHLHSUQKKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2.C2H6/c1-5-2-3-7(10-8)6(9)4-5;1-2/h2-4,9H,8H2,1H3;1-2H3.
What are the key properties of 2-aminooxy-5-methylphenol;ethane?
2-aminooxy-5-methylphenol;ethane has a molecular weight of 169.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-5-methylphenol;ethane is sourced from PubChem (CID 144810580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).