2-iodo-6-methoxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]phenol

C15H15IN2O2 — CID 135824305

IUPAC2-iodo-6-methoxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2ccccc2C)cc(I)c1O
InChIInChI=1S/C15H15IN2O2/c1-10-5-3-4-6-13(10)18-17-9-11-7-12(16)15(19)14(8-11)20-2/h3-9,18-19H,1-2H3/b17-9+
InChIKeyOGZABCRGFCQSEO-RQZCQDPDSA-N
MW382.20 g/mol
LogP3.76
Rot. Bonds4

About 2-iodo-6-methoxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]phenol

2-iodo-6-methoxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]phenol (PubChem CID 135824305) has the molecular formula C15H15IN2O2 and a molecular weight of 382.20 g/mol. Its IUPAC name is 2-iodo-6-methoxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-iodo-6-methoxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]phenol
PubChem CID135824305
Molecular FormulaC15H15IN2O2
Molecular Weight382.20 g/mol
Exact Mass382.02
IUPAC Name2-iodo-6-methoxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2ccccc2C)cc(I)c1O
InChIInChI=1S/C15H15IN2O2/c1-10-5-3-4-6-13(10)18-17-9-11-7-12(16)15(19)14(8-11)20-2/h3-9,18-19H,1-2H3/b17-9+
InChIKeyOGZABCRGFCQSEO-RQZCQDPDSA-N
XLogP3.76
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.76
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

2-iodo-6-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381560
2-iodo-6-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137034388
N-[2-[[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 3395997
[2,6-dimethoxy-4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]phenyl] acetate
CID 9014792
4-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 135858157
4-[[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 4521034
2-chloro-4-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 135622259
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline
CID 9014773
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 171985531
4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol
CID 136727524
4-[(Z)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol
CID 136822584
N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135939477

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-methoxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-iodo-6-methoxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]phenol (CID 135824305) is 2-iodo-6-methoxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-iodo-6-methoxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-iodo-6-methoxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]phenol is COc1cc(/C=N/Nc2ccccc2C)cc(I)c1O.
What is the InChIKey of 2-iodo-6-methoxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]phenol?
The InChIKey is OGZABCRGFCQSEO-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H15IN2O2/c1-10-5-3-4-6-13(10)18-17-9-11-7-12(16)15(19)14(8-11)20-2/h3-9,18-19H,1-2H3/b17-9+.
What are the key properties of 2-iodo-6-methoxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]phenol?
2-iodo-6-methoxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]phenol has a molecular weight of 382.20 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-methoxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135824305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).