3-(2-aminooxyethyl)phenol

C8H11NO2 — CID 83479668

IUPAC3-(2-aminooxyethyl)phenol
SMILESNOCCc1cccc(O)c1
InChIInChI=1S/C8H11NO2/c9-11-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2
InChIKeyRKGKFFZKLWEAGZ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.82
Rot. Bonds3

About 3-(2-aminooxyethyl)phenol

3-(2-aminooxyethyl)phenol (PubChem CID 83479668) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-(2-aminooxyethyl)phenol.

Molecular Properties

Compound Name3-(2-aminooxyethyl)phenol
PubChem CID83479668
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-(2-aminooxyethyl)phenol
SMILESNOCCc1cccc(O)c1
InChIInChI=1S/C8H11NO2/c9-11-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2
InChIKeyRKGKFFZKLWEAGZ-UHFFFAOYSA-N
XLogP0.82
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.82
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

3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol
CID 23050674
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
3-[4-amino-3-(aminomethyl)butyl]phenol
CID 83930255
2-[2-(3-hydroxyphenyl)ethyl]phenol
CID 10560581
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
3-(2-aminoethyl)phenol;thiourea
CID 159787139
3-[[4-(2-aminooxyethyl)-5-benzyl-1,2-dihydroimidazol-3-yl]methyl]phenol
CID 166698566
2-(3-hydroxyphenyl)ethylboronic acid
CID 55255673
3-(4-hydroxybutyl)phenol
CID 19991537
3-(3-sulfanylpropyl)phenol
CID 57206434
O-[2-(3-nitrophenyl)ethyl]hydroxylamine
CID 67062828
2-amino-4-(3-hydroxyphenyl)butanoic acid
CID 55252577

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminooxyethyl)phenol?
The IUPAC name of 3-(2-aminooxyethyl)phenol (CID 83479668) is 3-(2-aminooxyethyl)phenol.
What is the SMILES notation for 3-(2-aminooxyethyl)phenol?
The canonical SMILES for 3-(2-aminooxyethyl)phenol is NOCCc1cccc(O)c1.
What is the InChIKey of 3-(2-aminooxyethyl)phenol?
The InChIKey is RKGKFFZKLWEAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c9-11-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2.
What are the key properties of 3-(2-aminooxyethyl)phenol?
3-(2-aminooxyethyl)phenol has a molecular weight of 153.18 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminooxyethyl)phenol is sourced from PubChem (CID 83479668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).