4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol

C14H11BrINO2 — CID 3414958

IUPAC4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cc(Br)cc(/C=N/c2ccc(I)cc2)c1O
InChIInChI=1S/C14H11BrINO2/c1-19-13-7-10(15)6-9(14(13)18)8-17-12-4-2-11(16)3-5-12/h2-8,18H,1H3/b17-8+
InChIKeyILZSAILPGOHUPX-CAOOACKPSA-N
MW432.06 g/mol
LogP4.52
Rot. Bonds3

About 4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol

4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol (PubChem CID 3414958) has the molecular formula C14H11BrINO2 and a molecular weight of 432.06 g/mol. Its IUPAC name is 4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol
PubChem CID3414958
Molecular FormulaC14H11BrINO2
Molecular Weight432.06 g/mol
Exact Mass430.90
IUPAC Name4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cc(Br)cc(/C=N/c2ccc(I)cc2)c1O
InChIInChI=1S/C14H11BrINO2/c1-19-13-7-10(15)6-9(14(13)18)8-17-12-4-2-11(16)3-5-12/h2-8,18H,1H3/b17-8+
InChIKeyILZSAILPGOHUPX-CAOOACKPSA-N
XLogP4.52
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.06
LogP ≤ 54.52
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

4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol
CID 135619923
4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol
CID 1478235
4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methoxyphenol
CID 135619911
4-bromo-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592590
4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol
CID 3446470
1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine
CID 1272173
methyl 3-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate
CID 1480080
4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 1377778
4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135592582
4-bromo-2-methoxy-6-[(5-methyl-2-pyridinyl)iminomethyl]phenol
CID 871909
4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 1378103
4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol
CID 137043389

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol?
The IUPAC name of 4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol (CID 3414958) is 4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol?
The canonical SMILES for 4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol is COc1cc(Br)cc(/C=N/c2ccc(I)cc2)c1O.
What is the InChIKey of 4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol?
The InChIKey is ILZSAILPGOHUPX-CAOOACKPSA-N. The full InChI is InChI=1S/C14H11BrINO2/c1-19-13-7-10(15)6-9(14(13)18)8-17-12-4-2-11(16)3-5-12/h2-8,18H,1H3/b17-8+.
What are the key properties of 4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol?
4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol has a molecular weight of 432.06 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 3414958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).