[2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate

C18H20N2O4 — CID 9059590

IUPAC[2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate
SMILESCOc1cc(/C=N\Nc2ccc(C)cc2)cc(OC)c1OC(C)=O
InChIInChI=1S/C18H20N2O4/c1-12-5-7-15(8-6-12)20-19-11-14-9-16(22-3)18(24-13(2)21)17(10-14)23-4/h5-11,20H,1-4H3/b19-11-
InChIKeyVVLQMEWWNCHNND-ODLFYWEKSA-N
MW328.37 g/mol
LogP3.38
Rot. Bonds6

About [2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate

[2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate (PubChem CID 9059590) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is [2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate.

Molecular Properties

Compound Name[2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate
PubChem CID9059590
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name[2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate
SMILESCOc1cc(/C=N\Nc2ccc(C)cc2)cc(OC)c1OC(C)=O
InChIInChI=1S/C18H20N2O4/c1-12-5-7-15(8-6-12)20-19-11-14-9-16(22-3)18(24-13(2)21)17(10-14)23-4/h5-11,20H,1-4H3/b19-11-
InChIKeyVVLQMEWWNCHNND-ODLFYWEKSA-N
XLogP3.38
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 6258839
[2,6-dimethoxy-4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]phenyl] acetate
CID 9014792
N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline
CID 110505430
[2,6-dimethoxy-4-[(Z)-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 6008456
[2,6-dimethoxy-4-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl] acetate
CID 135824275
[2-methoxy-4-[[(4-methylphenyl)hydrazinylidene]methyl]phenyl] benzoate
CID 110840980
[2,6-dimethoxy-4-[(E)-[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate
CID 39818764
[2,6-dimethoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate
CID 5402661
[2,6-dimethoxy-4-[(Z)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] acetate
CID 5412697
4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 769086
4-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 84901065
[4-[(Z)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate
CID 6010869

Frequently Asked Questions

What is the IUPAC name of [2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate?
The IUPAC name of [2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate (CID 9059590) is [2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate.
What is the SMILES notation for [2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate?
The canonical SMILES for [2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate is COc1cc(/C=N\Nc2ccc(C)cc2)cc(OC)c1OC(C)=O.
What is the InChIKey of [2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate?
The InChIKey is VVLQMEWWNCHNND-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-5-7-15(8-6-12)20-19-11-14-9-16(22-3)18(24-13(2)21)17(10-14)23-4/h5-11,20H,1-4H3/b19-11-.
What are the key properties of [2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate?
[2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate has a molecular weight of 328.37 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate is sourced from PubChem (CID 9059590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).