4-tert-butyl-2-[(E)-hydroxyiminomethyl]-6-iodophenol

C11H14INO2 — CID 137126547

IUPAC4-tert-butyl-2-[(E)-hydroxyiminomethyl]-6-iodophenol
SMILESCC(C)(C)c1cc(I)c(O)c(/C=N/O)c1
InChIInChI=1S/C11H14INO2/c1-11(2,3)8-4-7(6-13-15)10(14)9(12)5-8/h4-6,14-15H,1-3H3/b13-6+
InChIKeyVNQBDBJXDGVZID-AWNIVKPZSA-N
MW319.14 g/mol
LogP3.10
Rot. Bonds1

About 4-tert-butyl-2-[(E)-hydroxyiminomethyl]-6-iodophenol

4-tert-butyl-2-[(E)-hydroxyiminomethyl]-6-iodophenol (PubChem CID 137126547) has the molecular formula C11H14INO2 and a molecular weight of 319.14 g/mol. Its IUPAC name is 4-tert-butyl-2-[(E)-hydroxyiminomethyl]-6-iodophenol.

Molecular Properties

Compound Name4-tert-butyl-2-[(E)-hydroxyiminomethyl]-6-iodophenol
PubChem CID137126547
Molecular FormulaC11H14INO2
Molecular Weight319.14 g/mol
Exact Mass319.01
IUPAC Name4-tert-butyl-2-[(E)-hydroxyiminomethyl]-6-iodophenol
SMILESCC(C)(C)c1cc(I)c(O)c(/C=N/O)c1
InChIInChI=1S/C11H14INO2/c1-11(2,3)8-4-7(6-13-15)10(14)9(12)5-8/h4-6,14-15H,1-3H3/b13-6+
InChIKeyVNQBDBJXDGVZID-AWNIVKPZSA-N
XLogP3.10
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 53.10
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

4-bromo-2-(hydroxyiminomethyl)-6-iodophenol
CID 1494403
2-(hydroxyiminomethyl)-6-iodophenol
CID 136960294
N-[[3-[(acetylhydrazinylidene)methyl]-5-tert-butyl-2-hydroxyphenyl]methylideneamino]acetamide
CID 829520
[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+)
CID 173083776
tricopper;hexakis(4-tert-butyl-2-[(E)-hydroxyiminomethyl]phenolate)
CID 139135690
2,4-ditert-butyl-6-[(E)-2-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
CID 135440193
CID 172985467
CID 172985467
2-chloro-6-[(E)-hydroxyiminomethyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 135441932
5-tert-butyl-3-[3-[(5-tert-butyl-3-formyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-2-hydroxybenzaldehyde
CID 136866248
CID 173215314
CID 173215314
2,4-ditert-butyl-6-[2-[(2-hydroxy-3,5-diiodophenyl)methyl-methylamino]ethyliminomethyl]phenol
CID 136703027
CID 173199978
CID 173199978

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(E)-hydroxyiminomethyl]-6-iodophenol?
The IUPAC name of 4-tert-butyl-2-[(E)-hydroxyiminomethyl]-6-iodophenol (CID 137126547) is 4-tert-butyl-2-[(E)-hydroxyiminomethyl]-6-iodophenol.
What is the SMILES notation for 4-tert-butyl-2-[(E)-hydroxyiminomethyl]-6-iodophenol?
The canonical SMILES for 4-tert-butyl-2-[(E)-hydroxyiminomethyl]-6-iodophenol is CC(C)(C)c1cc(I)c(O)c(/C=N/O)c1.
What is the InChIKey of 4-tert-butyl-2-[(E)-hydroxyiminomethyl]-6-iodophenol?
The InChIKey is VNQBDBJXDGVZID-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H14INO2/c1-11(2,3)8-4-7(6-13-15)10(14)9(12)5-8/h4-6,14-15H,1-3H3/b13-6+.
What are the key properties of 4-tert-butyl-2-[(E)-hydroxyiminomethyl]-6-iodophenol?
4-tert-butyl-2-[(E)-hydroxyiminomethyl]-6-iodophenol has a molecular weight of 319.14 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(E)-hydroxyiminomethyl]-6-iodophenol is sourced from PubChem (CID 137126547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).