4-[[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol

C17H20N2O3 — CID 4521034

IUPAC4-[[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(C=NNc2ccc(C)cc2C)cc(OC)c1O
InChIInChI=1S/C17H20N2O3/c1-11-5-6-14(12(2)7-11)19-18-10-13-8-15(21-3)17(20)16(9-13)22-4/h5-10,19-20H,1-4H3
InChIKeyCEBDXZGKGRILED-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.47
Rot. Bonds5

About 4-[[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol

4-[[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol (PubChem CID 4521034) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
PubChem CID4521034
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-[[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(C=NNc2ccc(C)cc2C)cc(OC)c1O
InChIInChI=1S/C17H20N2O3/c1-11-5-6-14(12(2)7-11)19-18-10-13-8-15(21-3)17(20)16(9-13)22-4/h5-10,19-20H,1-4H3
InChIKeyCEBDXZGKGRILED-UHFFFAOYSA-N
XLogP3.47
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

4-[(E)-[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 135608137
2-iodo-6-methoxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]phenol
CID 135824305
4-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 135858157
N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
CID 135613448
2-(2,4-dimethylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 135884298
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 4613263
2-bromo-6-methoxy-4-[[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 5068133
4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 3525992
2-chloro-4-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 135622259
2-chloro-4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 136704824
1-[(3,5-dimethoxyphenyl)methylideneamino]-3-(2,4-dimethylphenyl)thiourea
CID 4018614
4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 6258839

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol (CID 4521034) is 4-[[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol is COc1cc(C=NNc2ccc(C)cc2C)cc(OC)c1O.
What is the InChIKey of 4-[[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The InChIKey is CEBDXZGKGRILED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-5-6-14(12(2)7-11)19-18-10-13-8-15(21-3)17(20)16(9-13)22-4/h5-10,19-20H,1-4H3.
What are the key properties of 4-[[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
4-[[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol has a molecular weight of 300.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 4521034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).