4-[(hydroxyamino)methyl]benzene-1,3-diol

C7H9NO3 — CID 10261303

IUPAC4-[(hydroxyamino)methyl]benzene-1,3-diol
SMILESONCc1ccc(O)cc1O
InChIInChI=1S/C7H9NO3/c9-6-2-1-5(4-8-11)7(10)3-6/h1-3,8-11H,4H2
InChIKeyMVJGVEVPAGILEY-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.58
Rot. Bonds2

About 4-[(hydroxyamino)methyl]benzene-1,3-diol

4-[(hydroxyamino)methyl]benzene-1,3-diol (PubChem CID 10261303) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 4-[(hydroxyamino)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(hydroxyamino)methyl]benzene-1,3-diol
PubChem CID10261303
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name4-[(hydroxyamino)methyl]benzene-1,3-diol
SMILESONCc1ccc(O)cc1O
InChIInChI=1S/C7H9NO3/c9-6-2-1-5(4-8-11)7(10)3-6/h1-3,8-11H,4H2
InChIKeyMVJGVEVPAGILEY-UHFFFAOYSA-N
XLogP0.58
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.58
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'}

Analyze 4-[(hydroxyamino)methyl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 154092442
4-[[2-[(2,4-dihydroxyphenyl)methylamino]ethylamino]methyl]benzene-1,3-diol
CID 138502169
4-[(2-hydroxyanilino)methyl]benzene-1,3-diol
CID 21321428
2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol
CID 117295401
4-[(3-ethylpentan-3-ylamino)methyl]benzene-1,3-diol
CID 65039272
4-(fluoromethyl)benzene-1,3-diol
CID 91883667
4-(sulfanylmethyl)benzene-1,3-diol
CID 57214402
4-ethylbenzene-1,3-diol
CID 17927
4-[[(2-ethylphenyl)methylamino]methyl]benzene-1,3-diol
CID 64680284
4-[(2,6-dichloro-4-fluoroanilino)methyl]benzene-1,3-diol
CID 83077129
4-[(4-bromo-2,6-difluoroanilino)methyl]benzene-1,3-diol
CID 65468517
4-[(4,4,4-trifluorobutylamino)methyl]benzene-1,3-diol
CID 79039995

Frequently Asked Questions

What is the IUPAC name of 4-[(hydroxyamino)methyl]benzene-1,3-diol?
The IUPAC name of 4-[(hydroxyamino)methyl]benzene-1,3-diol (CID 10261303) is 4-[(hydroxyamino)methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(hydroxyamino)methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(hydroxyamino)methyl]benzene-1,3-diol is ONCc1ccc(O)cc1O.
What is the InChIKey of 4-[(hydroxyamino)methyl]benzene-1,3-diol?
The InChIKey is MVJGVEVPAGILEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c9-6-2-1-5(4-8-11)7(10)3-6/h1-3,8-11H,4H2.
What are the key properties of 4-[(hydroxyamino)methyl]benzene-1,3-diol?
4-[(hydroxyamino)methyl]benzene-1,3-diol has a molecular weight of 155.15 g/mol, XLogP of 0.58, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(hydroxyamino)methyl]benzene-1,3-diol is sourced from PubChem (CID 10261303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).