4-[(E)-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol

C18H20N2O6 — CID 135401234

IUPAC4-[(E)-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O
InChIInChI=1S/C18H20N2O6/c1-23-13-5-11(6-14(24-2)17(13)21)9-19-20-10-12-7-15(25-3)18(22)16(8-12)26-4/h5-10,21-22H,1-4H3/b19-9+,20-10+
InChIKeyYARKTHNUMGKMGS-LQGKIZFRSA-N
MW360.37 g/mol
LogP2.59
Rot. Bonds7

About 4-[(E)-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol

4-[(E)-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol (PubChem CID 135401234) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is 4-[(E)-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(E)-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol
PubChem CID135401234
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Name4-[(E)-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O
InChIInChI=1S/C18H20N2O6/c1-23-13-5-11(6-14(24-2)17(13)21)9-19-20-10-12-7-15(25-3)18(22)16(8-12)26-4/h5-10,21-22H,1-4H3/b19-9+,20-10+
InChIKeyYARKTHNUMGKMGS-LQGKIZFRSA-N
XLogP2.59
TPSA102.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(E)-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol (CID 135401234) is 4-[(E)-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(E)-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(E)-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol is COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O.
What is the InChIKey of 4-[(E)-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol?
The InChIKey is YARKTHNUMGKMGS-LQGKIZFRSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-23-13-5-11(6-14(24-2)17(13)21)9-19-20-10-12-7-15(25-3)18(22)16(8-12)26-4/h5-10,21-22H,1-4H3/b19-9+,20-10+.
What are the key properties of 4-[(E)-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol?
4-[(E)-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol has a molecular weight of 360.37 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 135401234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).