4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol

C17H19IN2O4 — CID 136727524

IUPAC4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol
SMILESCOc1ccc(CN/N=C\c2cc(I)c(O)c(OC)c2)cc1OC
InChIInChI=1S/C17H19IN2O4/c1-22-14-5-4-11(7-15(14)23-2)9-19-20-10-12-6-13(18)17(21)16(8-12)24-3/h4-8,10,19,21H,9H2,1-3H3/b20-10-
InChIKeyLGSPYBOAUVPKJK-JMIUGGIZSA-N
MW442.25 g/mol
LogP3.15
Rot. Bonds7

About 4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol

4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol (PubChem CID 136727524) has the molecular formula C17H19IN2O4 and a molecular weight of 442.25 g/mol. Its IUPAC name is 4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol.

Molecular Properties

Compound Name4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol
PubChem CID136727524
Molecular FormulaC17H19IN2O4
Molecular Weight442.25 g/mol
Exact Mass442.04
IUPAC Name4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol
SMILESCOc1ccc(CN/N=C\c2cc(I)c(O)c(OC)c2)cc1OC
InChIInChI=1S/C17H19IN2O4/c1-22-14-5-4-11(7-15(14)23-2)9-19-20-10-12-6-13(18)17(21)16(8-12)24-3/h4-8,10,19,21H,9H2,1-3H3/b20-10-
InChIKeyLGSPYBOAUVPKJK-JMIUGGIZSA-N
XLogP3.15
TPSA72.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.25
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]methanamine
CID 92658176
1-(3,4-dimethoxyphenyl)-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]methanamine
CID 133169319
1-(3,4-dimethoxyphenyl)-N-[(E)-(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]methanamine
CID 133169189
4-[(Z)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol
CID 136822584
1-(3,4-dimethoxyphenyl)-N-[(E)-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]methanamine
CID 133169194
1-(3,4-dimethoxyphenyl)-N-[(Z)-(3-ethoxy-5-iodo-4-prop-2-enoxyphenyl)methylideneamino]methanamine
CID 92658538
1-(3,4-dimethoxyphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]methanamine
CID 92658261
2-iodo-6-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381560
2-iodo-6-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137034388
2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 133169157
2-bromo-4-[(Z)-[(4-chlorophenyl)methylhydrazinylidene]methyl]-6-methoxyphenol
CID 137075508
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 99945092

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol?
The IUPAC name of 4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol (CID 136727524) is 4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol.
What is the SMILES notation for 4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol?
The canonical SMILES for 4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol is COc1ccc(CN/N=C\c2cc(I)c(O)c(OC)c2)cc1OC.
What is the InChIKey of 4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol?
The InChIKey is LGSPYBOAUVPKJK-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H19IN2O4/c1-22-14-5-4-11(7-15(14)23-2)9-19-20-10-12-6-13(18)17(21)16(8-12)24-3/h4-8,10,19,21H,9H2,1-3H3/b20-10-.
What are the key properties of 4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol?
4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol has a molecular weight of 442.25 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol is sourced from PubChem (CID 136727524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).