5-methoxy-2-[(E)-[(4-methylphenyl)methylhydrazinylidene]methyl]phenol

C16H18N2O2 — CID 137314309

IUPAC5-methoxy-2-[(E)-[(4-methylphenyl)methylhydrazinylidene]methyl]phenol
SMILESCOc1ccc(/C=N/NCc2ccc(C)cc2)c(O)c1
InChIInChI=1S/C16H18N2O2/c1-12-3-5-13(6-4-12)10-17-18-11-14-7-8-15(20-2)9-16(14)19/h3-9,11,17,19H,10H2,1-2H3/b18-11+
InChIKeyCNXLOIMBOWRKAS-WOJGMQOQSA-N
MW270.33 g/mol
LogP2.83
Rot. Bonds5

About 5-methoxy-2-[(E)-[(4-methylphenyl)methylhydrazinylidene]methyl]phenol

5-methoxy-2-[(E)-[(4-methylphenyl)methylhydrazinylidene]methyl]phenol (PubChem CID 137314309) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-methoxy-2-[(E)-[(4-methylphenyl)methylhydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[(E)-[(4-methylphenyl)methylhydrazinylidene]methyl]phenol
PubChem CID137314309
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name5-methoxy-2-[(E)-[(4-methylphenyl)methylhydrazinylidene]methyl]phenol
SMILESCOc1ccc(/C=N/NCc2ccc(C)cc2)c(O)c1
InChIInChI=1S/C16H18N2O2/c1-12-3-5-13(6-4-12)10-17-18-11-14-7-8-15(20-2)9-16(14)19/h3-9,11,17,19H,10H2,1-2H3/b18-11+
InChIKeyCNXLOIMBOWRKAS-WOJGMQOQSA-N
XLogP2.83
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

Phenyl-thioacetic acid [1-(2-hydroxy-4-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide
CID 136029182
4-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]benzene-1,3-diol
CID 137292524
2-(5-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-4-fluorophenol
CID 3290278
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 135988210
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 136184461
(e)-5-Methoxy-2-((2-(4-(trifluoromethyl)phenyl)-hydrazono)methyl)phenol
CID 137224426
5-methoxy-2-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 145952041
N,N'-bis(4-methoxysalicylidene)-1,3-propanediamine
CID 403717
3-(4-phenylphenyl)-5-(2,4,6-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole
CID 44455321
4-[[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]methyl]benzoic acid
CID 134145537
4-tert-butyl-N'-[(E)-(2-hydroxy-4-methoxyphenyl)methylidene]benzohydrazide
CID 135613078
Phenyl-thioacetic acid [1-(2-hydroxy-6-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide
CID 136029179

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(E)-[(4-methylphenyl)methylhydrazinylidene]methyl]phenol?
The IUPAC name of 5-methoxy-2-[(E)-[(4-methylphenyl)methylhydrazinylidene]methyl]phenol (CID 137314309) is 5-methoxy-2-[(E)-[(4-methylphenyl)methylhydrazinylidene]methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[(E)-[(4-methylphenyl)methylhydrazinylidene]methyl]phenol?
The canonical SMILES for 5-methoxy-2-[(E)-[(4-methylphenyl)methylhydrazinylidene]methyl]phenol is COc1ccc(/C=N/NCc2ccc(C)cc2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[(E)-[(4-methylphenyl)methylhydrazinylidene]methyl]phenol?
The InChIKey is CNXLOIMBOWRKAS-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-3-5-13(6-4-12)10-17-18-11-14-7-8-15(20-2)9-16(14)19/h3-9,11,17,19H,10H2,1-2H3/b18-11+.
What are the key properties of 5-methoxy-2-[(E)-[(4-methylphenyl)methylhydrazinylidene]methyl]phenol?
5-methoxy-2-[(E)-[(4-methylphenyl)methylhydrazinylidene]methyl]phenol has a molecular weight of 270.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(E)-[(4-methylphenyl)methylhydrazinylidene]methyl]phenol is sourced from PubChem (CID 137314309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).