2-(2-aminooxy-1-hydroxyethyl)phenol

C8H11NO3 — CID 105434025

IUPAC2-(2-aminooxy-1-hydroxyethyl)phenol
SMILESNOCC(O)c1ccccc1O
InChIInChI=1S/C8H11NO3/c9-12-5-8(11)6-3-1-2-4-7(6)10/h1-4,8,10-11H,5,9H2
InChIKeyMLALDLOXZIYOOP-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.32
Rot. Bonds3

About 2-(2-aminooxy-1-hydroxyethyl)phenol

2-(2-aminooxy-1-hydroxyethyl)phenol (PubChem CID 105434025) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(2-aminooxy-1-hydroxyethyl)phenol.

Molecular Properties

Compound Name2-(2-aminooxy-1-hydroxyethyl)phenol
PubChem CID105434025
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-(2-aminooxy-1-hydroxyethyl)phenol
SMILESNOCC(O)c1ccccc1O
InChIInChI=1S/C8H11NO3/c9-12-5-8(11)6-3-1-2-4-7(6)10/h1-4,8,10-11H,5,9H2
InChIKeyMLALDLOXZIYOOP-UHFFFAOYSA-N
XLogP0.32
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol
CID 105476954
2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol
CID 117243718
2-[(1S)-1-hydroxy-2-phenylethyl]phenol
CID 86312713
ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate
CID 11183417
2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol
CID 71616839
2-(1-amino-2-fluoroethyl)phenol
CID 83815442
2-[1-hydroxy-2-(4-pyrrol-1-ylphenoxy)ethyl]phenol
CID 71617538
2-[(1S)-1,3-diaminopropyl]phenol
CID 130872287
2-[(1S,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]phenol;hydrochloride
CID 171237589
2-[(1R)-2-dimethoxyphosphoryl-1-hydroxyethyl]phenol
CID 102595355
2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol
CID 168868522
2-[1,4-diamino-3-(2-hydroxyphenyl)butan-2-yl]phenol
CID 170875368

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminooxy-1-hydroxyethyl)phenol?
The IUPAC name of 2-(2-aminooxy-1-hydroxyethyl)phenol (CID 105434025) is 2-(2-aminooxy-1-hydroxyethyl)phenol.
What is the SMILES notation for 2-(2-aminooxy-1-hydroxyethyl)phenol?
The canonical SMILES for 2-(2-aminooxy-1-hydroxyethyl)phenol is NOCC(O)c1ccccc1O.
What is the InChIKey of 2-(2-aminooxy-1-hydroxyethyl)phenol?
The InChIKey is MLALDLOXZIYOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c9-12-5-8(11)6-3-1-2-4-7(6)10/h1-4,8,10-11H,5,9H2.
What are the key properties of 2-(2-aminooxy-1-hydroxyethyl)phenol?
2-(2-aminooxy-1-hydroxyethyl)phenol has a molecular weight of 169.18 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminooxy-1-hydroxyethyl)phenol is sourced from PubChem (CID 105434025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).