2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenol

C20H16INO3 — CID 137149845

IUPAC2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenol
SMILESCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(I)c1O
InChIInChI=1S/C20H16INO3/c1-24-19-12-14(11-18(21)20(19)23)13-22-15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h2-13,23H,1H3/b22-13+
InChIKeyXISUPHDQJURTCJ-LPYMAVHISA-N
MW445.26 g/mol
LogP5.55
Rot. Bonds5

About 2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenol

2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenol (PubChem CID 137149845) has the molecular formula C20H16INO3 and a molecular weight of 445.26 g/mol. Its IUPAC name is 2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenol
PubChem CID137149845
Molecular FormulaC20H16INO3
Molecular Weight445.26 g/mol
Exact Mass445.02
IUPAC Name2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenol
SMILESCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(I)c1O
InChIInChI=1S/C20H16INO3/c1-24-19-12-14(11-18(21)20(19)23)13-22-15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h2-13,23H,1H3/b22-13+
InChIKeyXISUPHDQJURTCJ-LPYMAVHISA-N
XLogP5.55
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.26
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 4505600
[2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenyl] 4-methylbenzenesulfonate
CID 126219352
4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol
CID 137149832
1-[4-(2,4-dinitrophenoxy)-3-iodo-5-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine
CID 126206396
1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126223775
2-iodo-6-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137034388
2-iodo-6-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381560
2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 137125019
2,6-dimethoxy-4-(naphthalen-2-yliminomethyl)phenol
CID 1284379
1-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126208248
4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255
1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 4506437

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenol?
The IUPAC name of 2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenol (CID 137149845) is 2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenol.
What is the SMILES notation for 2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenol?
The canonical SMILES for 2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenol is COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(I)c1O.
What is the InChIKey of 2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenol?
The InChIKey is XISUPHDQJURTCJ-LPYMAVHISA-N. The full InChI is InChI=1S/C20H16INO3/c1-24-19-12-14(11-18(21)20(19)23)13-22-15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h2-13,23H,1H3/b22-13+.
What are the key properties of 2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenol?
2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenol has a molecular weight of 445.26 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenol is sourced from PubChem (CID 137149845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).