4-[(Z)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol

C15H13Cl2IN2O2 — CID 136822584

IUPAC4-[(Z)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol
SMILESCOc1cc(/C=N\NCc2c(Cl)cccc2Cl)cc(I)c1O
InChIInChI=1S/C15H13Cl2IN2O2/c1-22-14-6-9(5-13(18)15(14)21)7-19-20-8-10-11(16)3-2-4-12(10)17/h2-7,20-21H,8H2,1H3/b19-7-
InChIKeyPCJUVLOZLFDTHW-GXHLCREISA-N
MW451.09 g/mol
LogP4.44
Rot. Bonds5

About 4-[(Z)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol

4-[(Z)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol (PubChem CID 136822584) has the molecular formula C15H13Cl2IN2O2 and a molecular weight of 451.09 g/mol. Its IUPAC name is 4-[(Z)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol.

Molecular Properties

Compound Name4-[(Z)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol
PubChem CID136822584
Molecular FormulaC15H13Cl2IN2O2
Molecular Weight451.09 g/mol
Exact Mass449.94
IUPAC Name4-[(Z)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol
SMILESCOc1cc(/C=N\NCc2c(Cl)cccc2Cl)cc(I)c1O
InChIInChI=1S/C15H13Cl2IN2O2/c1-22-14-6-9(5-13(18)15(14)21)7-19-20-8-10-11(16)3-2-4-12(10)17/h2-7,20-21H,8H2,1H3/b19-7-
InChIKeyPCJUVLOZLFDTHW-GXHLCREISA-N
XLogP4.44
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.09
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol
CID 136727524
N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060280
2-iodo-6-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381560
2-iodo-6-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137034388
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19059893
2-iodo-6-methoxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]phenol
CID 135824305
4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-ethoxyphenol
CID 135609871
1-(2,6-dichlorophenyl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
CID 19059944
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19059945
4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol
CID 137149832
2-bromo-4-[(Z)-[(4-chlorophenyl)methylhydrazinylidene]methyl]-6-methoxyphenol
CID 137075508
N-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19059948

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol?
The IUPAC name of 4-[(Z)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol (CID 136822584) is 4-[(Z)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol.
What is the SMILES notation for 4-[(Z)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol?
The canonical SMILES for 4-[(Z)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol is COc1cc(/C=N\NCc2c(Cl)cccc2Cl)cc(I)c1O.
What is the InChIKey of 4-[(Z)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol?
The InChIKey is PCJUVLOZLFDTHW-GXHLCREISA-N. The full InChI is InChI=1S/C15H13Cl2IN2O2/c1-22-14-6-9(5-13(18)15(14)21)7-19-20-8-10-11(16)3-2-4-12(10)17/h2-7,20-21H,8H2,1H3/b19-7-.
What are the key properties of 4-[(Z)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol?
4-[(Z)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol has a molecular weight of 451.09 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol is sourced from PubChem (CID 136822584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).