4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol

C15H13ClINO2 — CID 137149832

IUPAC4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol
SMILESCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(I)c1O
InChIInChI=1S/C15H13ClINO2/c1-9-3-4-11(7-12(9)16)18-8-10-5-13(17)15(19)14(6-10)20-2/h3-8,19H,1-2H3/b18-8+
InChIKeySUDDWWBVAJLPDE-QGMBQPNBSA-N
MW401.63 g/mol
LogP4.72
Rot. Bonds3

About 4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol

4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol (PubChem CID 137149832) has the molecular formula C15H13ClINO2 and a molecular weight of 401.63 g/mol. Its IUPAC name is 4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol.

Molecular Properties

Compound Name4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol
PubChem CID137149832
Molecular FormulaC15H13ClINO2
Molecular Weight401.63 g/mol
Exact Mass400.97
IUPAC Name4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol
SMILESCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(I)c1O
InChIInChI=1S/C15H13ClINO2/c1-9-3-4-11(7-12(9)16)18-8-10-5-13(17)15(19)14(6-10)20-2/h3-8,19H,1-2H3/b18-8+
InChIKeySUDDWWBVAJLPDE-QGMBQPNBSA-N
XLogP4.72
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.63
LogP ≤ 54.72
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

N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
CID 126214752
2,6-dichloro-4-[(3-chloro-4-methylphenyl)iminomethyl]phenol
CID 137149795
N-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine
CID 126216572
4-bromo-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592590
2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenol
CID 137149845
2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 137125019
N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
CID 126221635
1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine
CID 833856
4-[(Z)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol
CID 136822584
4-[[4-[(3-chloro-4-methylphenyl)iminomethyl]-2-ethoxy-6-iodophenoxy]methyl]benzoic acid
CID 126214248
[2-chloro-4-[(3-chloro-4-methylphenyl)iminomethyl]-6-methoxyphenyl] 4-methylbenzenesulfonate
CID 126219325
2-chloro-4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 136704824

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol?
The IUPAC name of 4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol (CID 137149832) is 4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol.
What is the SMILES notation for 4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol?
The canonical SMILES for 4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol is COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(I)c1O.
What is the InChIKey of 4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol?
The InChIKey is SUDDWWBVAJLPDE-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H13ClINO2/c1-9-3-4-11(7-12(9)16)18-8-10-5-13(17)15(19)14(6-10)20-2/h3-8,19H,1-2H3/b18-8+.
What are the key properties of 4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol?
4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol has a molecular weight of 401.63 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol is sourced from PubChem (CID 137149832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).