4-(aminooxymethyl)-2-methylphenol

C8H11NO2 — CID 117276023

IUPAC4-(aminooxymethyl)-2-methylphenol
SMILESCc1cc(CON)ccc1O
InChIInChI=1S/C8H11NO2/c1-6-4-7(5-11-9)2-3-8(6)10/h2-4,10H,5,9H2,1H3
InChIKeyPRVKQYDBLUEPOU-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.09
Rot. Bonds2

About 4-(aminooxymethyl)-2-methylphenol

4-(aminooxymethyl)-2-methylphenol (PubChem CID 117276023) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-(aminooxymethyl)-2-methylphenol.

Molecular Properties

Compound Name4-(aminooxymethyl)-2-methylphenol
PubChem CID117276023
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4-(aminooxymethyl)-2-methylphenol
SMILESCc1cc(CON)ccc1O
InChIInChI=1S/C8H11NO2/c1-6-4-7(5-11-9)2-3-8(6)10/h2-4,10H,5,9H2,1H3
InChIKeyPRVKQYDBLUEPOU-UHFFFAOYSA-N
XLogP1.09
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.09
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

4-(aminooxymethyl)-2-(1-fluoroethyl)phenol
CID 117280118
4-[(4-fluorophenoxy)methyl]-2-methylphenol
CID 117220443
4-(2-methoxyethyl)-2-methylphenol
CID 19977526
5-(aminooxymethyl)-2-chlorophenol;hydrochloride
CID 172820191
5-(aminooxymethyl)-2-methylbenzoic acid
CID 117278599
4-[4-amino-3-(aminomethyl)-2-methylbutyl]-2-methylphenol
CID 83922952
4-(aminooxymethyl)-2-chloro-6-methylphenol
CID 117280928
4-(2-ethoxyethyl)-2-methylphenol
CID 139712535
4-butyl-2-methylphenol
CID 10964856
4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol
CID 162497681
4-(2-amino-4-methylpentyl)-2-methylphenol
CID 178163187
4-(2-amino-3-fluoro-2-methylpropyl)-2-methylphenol
CID 163467452

Frequently Asked Questions

What is the IUPAC name of 4-(aminooxymethyl)-2-methylphenol?
The IUPAC name of 4-(aminooxymethyl)-2-methylphenol (CID 117276023) is 4-(aminooxymethyl)-2-methylphenol.
What is the SMILES notation for 4-(aminooxymethyl)-2-methylphenol?
The canonical SMILES for 4-(aminooxymethyl)-2-methylphenol is Cc1cc(CON)ccc1O.
What is the InChIKey of 4-(aminooxymethyl)-2-methylphenol?
The InChIKey is PRVKQYDBLUEPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-4-7(5-11-9)2-3-8(6)10/h2-4,10H,5,9H2,1H3.
What are the key properties of 4-(aminooxymethyl)-2-methylphenol?
4-(aminooxymethyl)-2-methylphenol has a molecular weight of 153.18 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminooxymethyl)-2-methylphenol is sourced from PubChem (CID 117276023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).