5-ethoxy-2-[(3-iodophenyl)iminomethyl]phenol

C15H14INO2 — CID 135704199

IUPAC5-ethoxy-2-[(3-iodophenyl)iminomethyl]phenol
SMILESCCOc1ccc(/C=N/c2cccc(I)c2)c(O)c1
InChIInChI=1S/C15H14INO2/c1-2-19-14-7-6-11(15(18)9-14)10-17-13-5-3-4-12(16)8-13/h3-10,18H,2H2,1H3/b17-10+
InChIKeyZEYZANUKHOCMPS-LICLKQGHSA-N
MW367.19 g/mol
LogP4.15
Rot. Bonds4

About 5-ethoxy-2-[(3-iodophenyl)iminomethyl]phenol

5-ethoxy-2-[(3-iodophenyl)iminomethyl]phenol (PubChem CID 135704199) has the molecular formula C15H14INO2 and a molecular weight of 367.19 g/mol. Its IUPAC name is 5-ethoxy-2-[(3-iodophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name5-ethoxy-2-[(3-iodophenyl)iminomethyl]phenol
PubChem CID135704199
Molecular FormulaC15H14INO2
Molecular Weight367.19 g/mol
Exact Mass367.01
IUPAC Name5-ethoxy-2-[(3-iodophenyl)iminomethyl]phenol
SMILESCCOc1ccc(/C=N/c2cccc(I)c2)c(O)c1
InChIInChI=1S/C15H14INO2/c1-2-19-14-7-6-11(15(18)9-14)10-17-13-5-3-4-12(16)8-13/h3-10,18H,2H2,1H3/b17-10+
InChIKeyZEYZANUKHOCMPS-LICLKQGHSA-N
XLogP4.15
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 54.15
H-Bond Donors ≤ 51
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

2-[(3,4-difluorophenyl)iminomethyl]-5-ethoxyphenol
CID 135843252
5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol
CID 136903559
5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 136722310
3-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N-methylbenzamide
CID 135758541
3-[(2,4-diethoxyphenyl)methylideneamino]benzoic acid
CID 23991610
2-[[4-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]phenyl]iminomethyl]-5-octadecoxyphenol
CID 136722312
2-[(4-hexoxyphenyl)iminomethyl]-5-octoxyphenol
CID 136805582
2-[(4-octoxyphenyl)iminomethyl]-5-pentoxyphenol
CID 136805594
2-[[4-[11-[4-[(2-hydroxy-4-octoxyphenyl)methylideneamino]phenoxy]undecoxy]phenyl]iminomethyl]-5-octoxyphenol
CID 136872509
2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol
CID 135699896
2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol
CID 135720913
5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 135676045

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[(3-iodophenyl)iminomethyl]phenol?
The IUPAC name of 5-ethoxy-2-[(3-iodophenyl)iminomethyl]phenol (CID 135704199) is 5-ethoxy-2-[(3-iodophenyl)iminomethyl]phenol.
What is the SMILES notation for 5-ethoxy-2-[(3-iodophenyl)iminomethyl]phenol?
The canonical SMILES for 5-ethoxy-2-[(3-iodophenyl)iminomethyl]phenol is CCOc1ccc(/C=N/c2cccc(I)c2)c(O)c1.
What is the InChIKey of 5-ethoxy-2-[(3-iodophenyl)iminomethyl]phenol?
The InChIKey is ZEYZANUKHOCMPS-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14INO2/c1-2-19-14-7-6-11(15(18)9-14)10-17-13-5-3-4-12(16)8-13/h3-10,18H,2H2,1H3/b17-10+.
What are the key properties of 5-ethoxy-2-[(3-iodophenyl)iminomethyl]phenol?
5-ethoxy-2-[(3-iodophenyl)iminomethyl]phenol has a molecular weight of 367.19 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[(3-iodophenyl)iminomethyl]phenol is sourced from PubChem (CID 135704199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).