4-[(E)-hydroxyiminomethyl]benzene-1,3-diol

C7H7NO3 — CID 135408746

IUPAC4-[(E)-hydroxyiminomethyl]benzene-1,3-diol
SMILESO/N=C/c1ccc(O)cc1O
InChIInChI=1S/C7H7NO3/c9-6-2-1-5(4-8-11)7(10)3-6/h1-4,9-11H/b8-4+
InChIKeyYIAZXUFZAYNWTP-XBXARRHUSA-N
MW153.14 g/mol
LogP0.91
Rot. Bonds1

About 4-[(E)-hydroxyiminomethyl]benzene-1,3-diol

4-[(E)-hydroxyiminomethyl]benzene-1,3-diol (PubChem CID 135408746) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 4-[(E)-hydroxyiminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-hydroxyiminomethyl]benzene-1,3-diol
PubChem CID135408746
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name4-[(E)-hydroxyiminomethyl]benzene-1,3-diol
SMILESO/N=C/c1ccc(O)cc1O
InChIInChI=1S/C7H7NO3/c9-6-2-1-5(4-8-11)7(10)3-6/h1-4,9-11H/b8-4+
InChIKeyYIAZXUFZAYNWTP-XBXARRHUSA-N
XLogP0.91
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(methyliminomethyl)benzene-1,3-diol
CID 136600311
2-[(E)-hydroxyiminomethyl]benzene-1,4-diol
CID 135483979
5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate
CID 135455554
2-(hydroxyiminomethyl)-5-methylphenol;iron
CID 175124373
4-(aminomethyl)benzene-1,3-diol;2,4-dihydroxybenzaldehyde;4-[(E)-hydroxyiminomethyl]benzene-1,3-diol;hydroxylamine;dihydrochloride
CID 172988602
5-ethenyl-2-(hydroxyiminomethyl)phenol
CID 140585700
4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol
CID 136795193
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135824362
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
4-ethenylbenzene-1,3-diol
CID 10374511
copper 2-[(E)-hydroxyiminomethyl]phenol
CID 135422084
cobalt;bis(2-(hydroxyiminomethyl)phenol)
CID 158420458

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hydroxyiminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-hydroxyiminomethyl]benzene-1,3-diol (CID 135408746) is 4-[(E)-hydroxyiminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-hydroxyiminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-hydroxyiminomethyl]benzene-1,3-diol is O/N=C/c1ccc(O)cc1O.
What is the InChIKey of 4-[(E)-hydroxyiminomethyl]benzene-1,3-diol?
The InChIKey is YIAZXUFZAYNWTP-XBXARRHUSA-N. The full InChI is InChI=1S/C7H7NO3/c9-6-2-1-5(4-8-11)7(10)3-6/h1-4,9-11H/b8-4+.
What are the key properties of 4-[(E)-hydroxyiminomethyl]benzene-1,3-diol?
4-[(E)-hydroxyiminomethyl]benzene-1,3-diol has a molecular weight of 153.14 g/mol, XLogP of 0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hydroxyiminomethyl]benzene-1,3-diol is sourced from PubChem (CID 135408746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).