4-bromo-2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-iodophenol

C19H12BrClINO2 — CID 137085630

IUPAC4-bromo-2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-iodophenol
SMILESOc1c(I)cc(Br)cc1/C=N/c1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H12BrClINO2/c20-13-8-12(19(24)18(22)9-13)11-23-15-4-6-16(7-5-15)25-17-3-1-2-14(21)10-17/h1-11,24H/b23-11+
InChIKeyGQYHNPGIHIRJEQ-FOKLQQMPSA-N
MW528.57 g/mol
LogP6.96
Rot. Bonds4

About 4-bromo-2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-iodophenol

4-bromo-2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-iodophenol (PubChem CID 137085630) has the molecular formula C19H12BrClINO2 and a molecular weight of 528.57 g/mol. Its IUPAC name is 4-bromo-2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-iodophenol.

Molecular Properties

Compound Name4-bromo-2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-iodophenol
PubChem CID137085630
Molecular FormulaC19H12BrClINO2
Molecular Weight528.57 g/mol
Exact Mass526.88
IUPAC Name4-bromo-2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-iodophenol
SMILESOc1c(I)cc(Br)cc1/C=N/c1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H12BrClINO2/c20-13-8-12(19(24)18(22)9-13)11-23-15-4-6-16(7-5-15)25-17-3-1-2-14(21)10-17/h1-11,24H/b23-11+
InChIKeyGQYHNPGIHIRJEQ-FOKLQQMPSA-N
XLogP6.96
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.57
LogP ≤ 56.96
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-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-nitrophenol
CID 137172953
4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]-6-iodophenol
CID 137173116
2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol
CID 4092564
4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methoxyphenol
CID 135619911
4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol
CID 137173243
2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol
CID 135939522
ethyl 4-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]benzoate
CID 1237452
4-bromo-2-(hydroxyiminomethyl)-6-iodophenol
CID 1494403
1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126215516
4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol
CID 137043389
2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585
2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 724452

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-iodophenol?
The IUPAC name of 4-bromo-2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-iodophenol (CID 137085630) is 4-bromo-2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-iodophenol.
What is the SMILES notation for 4-bromo-2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-iodophenol?
The canonical SMILES for 4-bromo-2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-iodophenol is Oc1c(I)cc(Br)cc1/C=N/c1ccc(Oc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-bromo-2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-iodophenol?
The InChIKey is GQYHNPGIHIRJEQ-FOKLQQMPSA-N. The full InChI is InChI=1S/C19H12BrClINO2/c20-13-8-12(19(24)18(22)9-13)11-23-15-4-6-16(7-5-15)25-17-3-1-2-14(21)10-17/h1-11,24H/b23-11+.
What are the key properties of 4-bromo-2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-iodophenol?
4-bromo-2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-iodophenol has a molecular weight of 528.57 g/mol, XLogP of 6.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-iodophenol is sourced from PubChem (CID 137085630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).