2-[(hydroxyamino)methyl]-6-(hydroxymethyl)phenol

C8H11NO3 — CID 117276695

IUPAC2-[(hydroxyamino)methyl]-6-(hydroxymethyl)phenol
SMILESOCc1cccc(CNO)c1O
InChIInChI=1S/C8H11NO3/c10-5-7-3-1-2-6(4-9-12)8(7)11/h1-3,9-12H,4-5H2
InChIKeyMUYSFLDJQNTMNG-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.36
Rot. Bonds3

About 2-[(hydroxyamino)methyl]-6-(hydroxymethyl)phenol

2-[(hydroxyamino)methyl]-6-(hydroxymethyl)phenol (PubChem CID 117276695) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-[(hydroxyamino)methyl]-6-(hydroxymethyl)phenol.

Molecular Properties

Compound Name2-[(hydroxyamino)methyl]-6-(hydroxymethyl)phenol
PubChem CID117276695
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-[(hydroxyamino)methyl]-6-(hydroxymethyl)phenol
SMILESOCc1cccc(CNO)c1O
InChIInChI=1S/C8H11NO3/c10-5-7-3-1-2-6(4-9-12)8(7)11/h1-3,9-12H,4-5H2
InChIKeyMUYSFLDJQNTMNG-UHFFFAOYSA-N
XLogP0.36
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol
CID 117276602
2-[[2-hydroxy-3-(hydroxymethyl)phenyl]methylamino]-3-methylbutane-1,4-diol
CID 90137576
3-[[2-(hydroxymethyl)anilino]methyl]benzene-1,2-diol
CID 61318684
3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117281678
2-[(hydroxyamino)methyl]benzene-1,3-diol
CID 117276038
6-[(hydroxyamino)methyl]-2,3-dimethylphenol
CID 117276536
methyl 2-hydroxy-3-(hydroxymethyl)benzoate
CID 54246985
3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol
CID 114331529
2-[(2,3-dihydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851106
3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol
CID 84804289
[2-(hydroxymethyl)phenyl]methanol;methane
CID 143282166
N-[(3-chloro-1H-indol-7-yl)methyl]hydroxylamine
CID 117286523

Frequently Asked Questions

What is the IUPAC name of 2-[(hydroxyamino)methyl]-6-(hydroxymethyl)phenol?
The IUPAC name of 2-[(hydroxyamino)methyl]-6-(hydroxymethyl)phenol (CID 117276695) is 2-[(hydroxyamino)methyl]-6-(hydroxymethyl)phenol.
What is the SMILES notation for 2-[(hydroxyamino)methyl]-6-(hydroxymethyl)phenol?
The canonical SMILES for 2-[(hydroxyamino)methyl]-6-(hydroxymethyl)phenol is OCc1cccc(CNO)c1O.
What is the InChIKey of 2-[(hydroxyamino)methyl]-6-(hydroxymethyl)phenol?
The InChIKey is MUYSFLDJQNTMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-5-7-3-1-2-6(4-9-12)8(7)11/h1-3,9-12H,4-5H2.
What are the key properties of 2-[(hydroxyamino)methyl]-6-(hydroxymethyl)phenol?
2-[(hydroxyamino)methyl]-6-(hydroxymethyl)phenol has a molecular weight of 169.18 g/mol, XLogP of 0.36, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(hydroxyamino)methyl]-6-(hydroxymethyl)phenol is sourced from PubChem (CID 117276695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).