4-[(4-iodophenyl)iminomethyl]benzene-1,3-diol

C13H10INO2 — CID 693167

IUPAC4-[(4-iodophenyl)iminomethyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/c2ccc(I)cc2)c(O)c1
InChIInChI=1S/C13H10INO2/c14-10-2-4-11(5-3-10)15-8-9-1-6-12(16)7-13(9)17/h1-8,16-17H/b15-8+
InChIKeyIBLSHDLGWOTEMS-OVCLIPMQSA-N
MW339.13 g/mol
LogP3.45
Rot. Bonds2

About 4-[(4-iodophenyl)iminomethyl]benzene-1,3-diol

4-[(4-iodophenyl)iminomethyl]benzene-1,3-diol (PubChem CID 693167) has the molecular formula C13H10INO2 and a molecular weight of 339.13 g/mol. Its IUPAC name is 4-[(4-iodophenyl)iminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(4-iodophenyl)iminomethyl]benzene-1,3-diol
PubChem CID693167
Molecular FormulaC13H10INO2
Molecular Weight339.13 g/mol
Exact Mass338.98
IUPAC Name4-[(4-iodophenyl)iminomethyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/c2ccc(I)cc2)c(O)c1
InChIInChI=1S/C13H10INO2/c14-10-2-4-11(5-3-10)15-8-9-1-6-12(16)7-13(9)17/h1-8,16-17H/b15-8+
InChIKeyIBLSHDLGWOTEMS-OVCLIPMQSA-N
XLogP3.45
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.13
LogP ≤ 53.45
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'}

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Related Compounds

N-salicylidene-o-aminophenol
CID 74479
Salicylideneaniline
CID 136621
4-Benzylideneaminophenol
CID 11501
Alpha-(4-hydroxyphenylimino)-O-cresol
CID 219803
Benzene-1,3-diol, 4-(2-hydroxyphenyliminomethyl)-
CID 556793
Alpha-(4-hydroxyphenylimino)-P-cresol
CID 473148
N,N'-Bis(2-hydroxybenzylidene)-1,4-phenylenediamine
CID 219626
4-{(E)-[(4-methylphenyl)imino]methyl}phenol
CID 611166
3-Fluoro-N-(2-hydroxybenzylidene)aniline
CID 3827791
4-[[(4-Fluorophenyl)imino]methyl]phenol
CID 720254
4-{(E)-(4-Hydroxyphenyl)[(2-Methylphenyl)imino]methyl}benzene-1,3-Diol
CID 136046139
4-[(E)-[(4-Fluorophenyl)imino](4-Hydroxyphenyl)methyl]benzene-1,3-Diol
CID 136046146

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenyl)iminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[(4-iodophenyl)iminomethyl]benzene-1,3-diol (CID 693167) is 4-[(4-iodophenyl)iminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(4-iodophenyl)iminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[(4-iodophenyl)iminomethyl]benzene-1,3-diol is Oc1ccc(/C=N/c2ccc(I)cc2)c(O)c1.
What is the InChIKey of 4-[(4-iodophenyl)iminomethyl]benzene-1,3-diol?
The InChIKey is IBLSHDLGWOTEMS-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H10INO2/c14-10-2-4-11(5-3-10)15-8-9-1-6-12(16)7-13(9)17/h1-8,16-17H/b15-8+.
What are the key properties of 4-[(4-iodophenyl)iminomethyl]benzene-1,3-diol?
4-[(4-iodophenyl)iminomethyl]benzene-1,3-diol has a molecular weight of 339.13 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenyl)iminomethyl]benzene-1,3-diol is sourced from PubChem (CID 693167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).