4-[(2-bromo-4-methylphenyl)iminomethyl]-2-iodophenol

C14H11BrINO — CID 137100162

IUPAC4-[(2-bromo-4-methylphenyl)iminomethyl]-2-iodophenol
SMILESCc1ccc(/N=C/c2ccc(O)c(I)c2)c(Br)c1
InChIInChI=1S/C14H11BrINO/c1-9-2-4-13(11(15)6-9)17-8-10-3-5-14(18)12(16)7-10/h2-8,18H,1H3/b17-8+
InChIKeyFMBQKBBQXLCYKP-CAOOACKPSA-N
MW416.06 g/mol
LogP4.82
Rot. Bonds2

About 4-[(2-bromo-4-methylphenyl)iminomethyl]-2-iodophenol

4-[(2-bromo-4-methylphenyl)iminomethyl]-2-iodophenol (PubChem CID 137100162) has the molecular formula C14H11BrINO and a molecular weight of 416.06 g/mol. Its IUPAC name is 4-[(2-bromo-4-methylphenyl)iminomethyl]-2-iodophenol.

Molecular Properties

Compound Name4-[(2-bromo-4-methylphenyl)iminomethyl]-2-iodophenol
PubChem CID137100162
Molecular FormulaC14H11BrINO
Molecular Weight416.06 g/mol
Exact Mass414.91
IUPAC Name4-[(2-bromo-4-methylphenyl)iminomethyl]-2-iodophenol
SMILESCc1ccc(/N=C/c2ccc(O)c(I)c2)c(Br)c1
InChIInChI=1S/C14H11BrINO/c1-9-2-4-13(11(15)6-9)17-8-10-3-5-14(18)12(16)7-10/h2-8,18H,1H3/b17-8+
InChIKeyFMBQKBBQXLCYKP-CAOOACKPSA-N
XLogP4.82
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.06
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-methylphenyl)iminomethyl]-2-iodophenol?
The IUPAC name of 4-[(2-bromo-4-methylphenyl)iminomethyl]-2-iodophenol (CID 137100162) is 4-[(2-bromo-4-methylphenyl)iminomethyl]-2-iodophenol.
What is the SMILES notation for 4-[(2-bromo-4-methylphenyl)iminomethyl]-2-iodophenol?
The canonical SMILES for 4-[(2-bromo-4-methylphenyl)iminomethyl]-2-iodophenol is Cc1ccc(/N=C/c2ccc(O)c(I)c2)c(Br)c1.
What is the InChIKey of 4-[(2-bromo-4-methylphenyl)iminomethyl]-2-iodophenol?
The InChIKey is FMBQKBBQXLCYKP-CAOOACKPSA-N. The full InChI is InChI=1S/C14H11BrINO/c1-9-2-4-13(11(15)6-9)17-8-10-3-5-14(18)12(16)7-10/h2-8,18H,1H3/b17-8+.
What are the key properties of 4-[(2-bromo-4-methylphenyl)iminomethyl]-2-iodophenol?
4-[(2-bromo-4-methylphenyl)iminomethyl]-2-iodophenol has a molecular weight of 416.06 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-methylphenyl)iminomethyl]-2-iodophenol is sourced from PubChem (CID 137100162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).