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

C7H7NO3 — CID 135483979

IUPAC2-[(E)-hydroxyiminomethyl]benzene-1,4-diol
SMILESO/N=C/c1cc(O)ccc1O
InChIInChI=1S/C7H7NO3/c9-6-1-2-7(10)5(3-6)4-8-11/h1-4,9-11H/b8-4+
InChIKeyXHBLHEQHMFWIIJ-XBXARRHUSA-N
MW153.14 g/mol
LogP0.91
Rot. Bonds1

About 2-[(E)-hydroxyiminomethyl]benzene-1,4-diol

2-[(E)-hydroxyiminomethyl]benzene-1,4-diol (PubChem CID 135483979) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-[(E)-hydroxyiminomethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(E)-hydroxyiminomethyl]benzene-1,4-diol
PubChem CID135483979
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name2-[(E)-hydroxyiminomethyl]benzene-1,4-diol
SMILESO/N=C/c1cc(O)ccc1O
InChIInChI=1S/C7H7NO3/c9-6-1-2-7(10)5(3-6)4-8-11/h1-4,9-11H/b8-4+
InChIKeyXHBLHEQHMFWIIJ-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': 'hydroquinone', 'substructure': 'N/A'}, {'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-[(E)-hydroxyiminomethyl]benzene-1,3-diol
CID 135408746
4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol
CID 136864512
2-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,4-diol
CID 135532292
5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate
CID 135455554
copper 2-[(E)-hydroxyiminomethyl]phenol
CID 135422084
cobalt;bis(2-(hydroxyiminomethyl)phenol)
CID 158420458
[(2,5-dihydroxyphenyl)methylideneamino]urea
CID 5052012
sodium;hydride;2-[(Z)-hydroxyiminomethyl]phenol
CID 173437393
2-[(3,5-ditert-butylphenyl)iminomethyl]benzene-1,4-diol
CID 136802639
2-[(Z)-3-methylbut-1-enyl]benzene-1,4-diol
CID 145071373
methyl N'-[(2,5-dihydroxyphenyl)methylideneamino]carbamimidothioate
CID 137207506
2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol
CID 173347602

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hydroxyiminomethyl]benzene-1,4-diol?
The IUPAC name of 2-[(E)-hydroxyiminomethyl]benzene-1,4-diol (CID 135483979) is 2-[(E)-hydroxyiminomethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(E)-hydroxyiminomethyl]benzene-1,4-diol?
The canonical SMILES for 2-[(E)-hydroxyiminomethyl]benzene-1,4-diol is O/N=C/c1cc(O)ccc1O.
What is the InChIKey of 2-[(E)-hydroxyiminomethyl]benzene-1,4-diol?
The InChIKey is XHBLHEQHMFWIIJ-XBXARRHUSA-N. The full InChI is InChI=1S/C7H7NO3/c9-6-1-2-7(10)5(3-6)4-8-11/h1-4,9-11H/b8-4+.
What are the key properties of 2-[(E)-hydroxyiminomethyl]benzene-1,4-diol?
2-[(E)-hydroxyiminomethyl]benzene-1,4-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 2-[(E)-hydroxyiminomethyl]benzene-1,4-diol is sourced from PubChem (CID 135483979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).