2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol

C18H18INO2 — CID 137162393

IUPAC2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol
SMILESC=CCc1cc(/C=N/c2ccccc2I)cc(OCC)c1O
InChIInChI=1S/C18H18INO2/c1-3-7-14-10-13(11-17(18(14)21)22-4-2)12-20-16-9-6-5-8-15(16)19/h3,5-6,8-12,21H,1,4,7H2,2H3/b20-12+
InChIKeyVUIFPFQQZBXHDA-UDWIEESQSA-N
MW407.25 g/mol
LogP4.87
Rot. Bonds6

About 2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol

2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol (PubChem CID 137162393) has the molecular formula C18H18INO2 and a molecular weight of 407.25 g/mol. Its IUPAC name is 2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol
PubChem CID137162393
Molecular FormulaC18H18INO2
Molecular Weight407.25 g/mol
Exact Mass407.04
IUPAC Name2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol
SMILESC=CCc1cc(/C=N/c2ccccc2I)cc(OCC)c1O
InChIInChI=1S/C18H18INO2/c1-3-7-14-10-13(11-17(18(14)21)22-4-2)12-20-16-9-6-5-8-15(16)19/h3,5-6,8-12,21H,1,4,7H2,2H3/b20-12+
InChIKeyVUIFPFQQZBXHDA-UDWIEESQSA-N
XLogP4.87
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 54.87
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol
CID 137162256
4-[(2-bromophenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol
CID 137173615
2-ethoxy-4-[(4-methyl-2-nitrophenyl)iminomethyl]-6-prop-2-enylphenol
CID 137173804
2-ethoxy-4-[(3-methoxyphenyl)iminomethyl]-6-prop-2-enylphenol
CID 137101758
N-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide
CID 137173872
4-[(4-cyclohexylphenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol
CID 137101752
2-ethoxy-4-[[4-(4-nitrophenyl)sulfanylphenyl]iminomethyl]-6-prop-2-enylphenol
CID 137118455
2-ethoxy-6-[(2-iodophenyl)iminomethyl]phenol
CID 135595102
N'-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-N-(2-fluorophenyl)butanediamide
CID 4675458
1-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 3885276
N-[1-[2-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3385169
N-[(E)-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 137072052

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol?
The IUPAC name of 2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol (CID 137162393) is 2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol.
What is the SMILES notation for 2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol?
The canonical SMILES for 2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol is C=CCc1cc(/C=N/c2ccccc2I)cc(OCC)c1O.
What is the InChIKey of 2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol?
The InChIKey is VUIFPFQQZBXHDA-UDWIEESQSA-N. The full InChI is InChI=1S/C18H18INO2/c1-3-7-14-10-13(11-17(18(14)21)22-4-2)12-20-16-9-6-5-8-15(16)19/h3,5-6,8-12,21H,1,4,7H2,2H3/b20-12+.
What are the key properties of 2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol?
2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol has a molecular weight of 407.25 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol is sourced from PubChem (CID 137162393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).