4-(dimethylaminooxy)phenol

C8H11NO2 — CID 163417852

IUPAC4-(dimethylaminooxy)phenol
SMILESCN(C)Oc1ccc(O)cc1
InChIInChI=1S/C8H11NO2/c1-9(2)11-8-5-3-7(10)4-6-8/h3-6,10H,1-2H3
InChIKeyAFYOMICAZJCUDO-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.25
Rot. Bonds2

About 4-(dimethylaminooxy)phenol

4-(dimethylaminooxy)phenol (PubChem CID 163417852) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-(dimethylaminooxy)phenol.

Molecular Properties

Compound Name4-(dimethylaminooxy)phenol
PubChem CID163417852
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4-(dimethylaminooxy)phenol
SMILESCN(C)Oc1ccc(O)cc1
InChIInChI=1S/C8H11NO2/c1-9(2)11-8-5-3-7(10)4-6-8/h3-6,10H,1-2H3
InChIKeyAFYOMICAZJCUDO-UHFFFAOYSA-N
XLogP1.25
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylaminooxy)phenol?
The IUPAC name of 4-(dimethylaminooxy)phenol (CID 163417852) is 4-(dimethylaminooxy)phenol.
What is the SMILES notation for 4-(dimethylaminooxy)phenol?
The canonical SMILES for 4-(dimethylaminooxy)phenol is CN(C)Oc1ccc(O)cc1.
What is the InChIKey of 4-(dimethylaminooxy)phenol?
The InChIKey is AFYOMICAZJCUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-9(2)11-8-5-3-7(10)4-6-8/h3-6,10H,1-2H3.
What are the key properties of 4-(dimethylaminooxy)phenol?
4-(dimethylaminooxy)phenol has a molecular weight of 153.18 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylaminooxy)phenol is sourced from PubChem (CID 163417852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).