4-[(E)-hydroxyiminomethyl]-2,6-diiodophenol

C7H5I2NO2 — CID 135408525

IUPAC4-[(E)-hydroxyiminomethyl]-2,6-diiodophenol
SMILESO/N=C/c1cc(I)c(O)c(I)c1
InChIInChI=1S/C7H5I2NO2/c8-5-1-4(3-10-12)2-6(9)7(5)11/h1-3,11-12H/b10-3+
InChIKeyHKHJNPNVZZAURN-XCVCLJGOSA-N
MW388.93 g/mol
LogP2.41
Rot. Bonds1

About 4-[(E)-hydroxyiminomethyl]-2,6-diiodophenol

4-[(E)-hydroxyiminomethyl]-2,6-diiodophenol (PubChem CID 135408525) has the molecular formula C7H5I2NO2 and a molecular weight of 388.93 g/mol. Its IUPAC name is 4-[(E)-hydroxyiminomethyl]-2,6-diiodophenol.

Molecular Properties

Compound Name4-[(E)-hydroxyiminomethyl]-2,6-diiodophenol
PubChem CID135408525
Molecular FormulaC7H5I2NO2
Molecular Weight388.93 g/mol
Exact Mass388.84
IUPAC Name4-[(E)-hydroxyiminomethyl]-2,6-diiodophenol
SMILESO/N=C/c1cc(I)c(O)c(I)c1
InChIInChI=1S/C7H5I2NO2/c8-5-1-4(3-10-12)2-6(9)7(5)11/h1-3,11-12H/b10-3+
InChIKeyHKHJNPNVZZAURN-XCVCLJGOSA-N
XLogP2.41
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.93
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

Salicylaldoxime
CID 135408751
4-Hydroxybenzaldehyde oxime
CID 135408704
(Z)-(4-hydroxyphenyl)acetaldehyde oxime
CID 5459810
4-hydroxybenzaldehyde [(1E)-(4-hydroxyphenyl)methylene]hydrazone
CID 135460511
Salicylaldehyde oxime
CID 7200
3,4-Dihydroxybenzaldoxime
CID 135482064
4-Hydroxyphenylacetaldoxime
CID 5460411
4-[(Propylimino)methyl]benzenol
CID 3609105
Benzaldehyde, 4-hydroxy-, oxime
CID 219130
Phenol, p-(N-methylformimidoyl)-
CID 201277
Benzaldehyde, 2-hydroxy, O-methyloxime
CID 135542888
1-hydroxy-2-[(E)-(4-hydroxyphenyl)methylideneamino]guanidine
CID 135430293

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hydroxyiminomethyl]-2,6-diiodophenol?
The IUPAC name of 4-[(E)-hydroxyiminomethyl]-2,6-diiodophenol (CID 135408525) is 4-[(E)-hydroxyiminomethyl]-2,6-diiodophenol.
What is the SMILES notation for 4-[(E)-hydroxyiminomethyl]-2,6-diiodophenol?
The canonical SMILES for 4-[(E)-hydroxyiminomethyl]-2,6-diiodophenol is O/N=C/c1cc(I)c(O)c(I)c1.
What is the InChIKey of 4-[(E)-hydroxyiminomethyl]-2,6-diiodophenol?
The InChIKey is HKHJNPNVZZAURN-XCVCLJGOSA-N. The full InChI is InChI=1S/C7H5I2NO2/c8-5-1-4(3-10-12)2-6(9)7(5)11/h1-3,11-12H/b10-3+.
What are the key properties of 4-[(E)-hydroxyiminomethyl]-2,6-diiodophenol?
4-[(E)-hydroxyiminomethyl]-2,6-diiodophenol has a molecular weight of 388.93 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hydroxyiminomethyl]-2,6-diiodophenol is sourced from PubChem (CID 135408525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).