4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol

C14H11BrINO2 — CID 137043389

IUPAC4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol
SMILESCOc1ccccc1/N=C/c1cc(Br)cc(I)c1O
InChIInChI=1S/C14H11BrINO2/c1-19-13-5-3-2-4-12(13)17-8-9-6-10(15)7-11(16)14(9)18/h2-8,18H,1H3/b17-8+
InChIKeyQSMORTFYYAGUMX-CAOOACKPSA-N
MW432.06 g/mol
LogP4.52
Rot. Bonds3

About 4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol

4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol (PubChem CID 137043389) has the molecular formula C14H11BrINO2 and a molecular weight of 432.06 g/mol. Its IUPAC name is 4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol
PubChem CID137043389
Molecular FormulaC14H11BrINO2
Molecular Weight432.06 g/mol
Exact Mass430.90
IUPAC Name4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol
SMILESCOc1ccccc1/N=C/c1cc(Br)cc(I)c1O
InChIInChI=1S/C14H11BrINO2/c1-19-13-5-3-2-4-12(13)17-8-9-6-10(15)7-11(16)14(9)18/h2-8,18H,1H3/b17-8+
InChIKeyQSMORTFYYAGUMX-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-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol
CID 137173243
N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide
CID 137043306
2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid
CID 871301
1-(2-bromophenyl)-N-(2-methoxyphenyl)methanimine
CID 71359959
4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135592582
4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol
CID 3414958
4-bromo-2-[(3-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592586
4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]-6-iodophenol
CID 137173116
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137168382
4-bromo-2-(hydroxyiminomethyl)-6-iodophenol
CID 1494403
4-bromo-2-methoxy-6-(quinolin-5-yliminomethyl)phenol
CID 171981027
4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-(methoxyamino)phenol
CID 143730258

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol (CID 137043389) is 4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol is COc1ccccc1/N=C/c1cc(Br)cc(I)c1O.
What is the InChIKey of 4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol?
The InChIKey is QSMORTFYYAGUMX-CAOOACKPSA-N. The full InChI is InChI=1S/C14H11BrINO2/c1-19-13-5-3-2-4-12(13)17-8-9-6-10(15)7-11(16)14(9)18/h2-8,18H,1H3/b17-8+.
What are the key properties of 4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol?
4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol 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-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol is sourced from PubChem (CID 137043389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).