5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol

C16H18N2O2 — CID 135676045

IUPAC5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
SMILESCCOc1ccc(/C=N/Nc2cccc(C)c2)c(O)c1
InChIInChI=1S/C16H18N2O2/c1-3-20-15-8-7-13(16(19)10-15)11-17-18-14-6-4-5-12(2)9-14/h4-11,18-19H,3H2,1-2H3/b17-11+
InChIKeyVWHCTOKUVYCQRK-GZTJUZNOSA-N
MW270.33 g/mol
LogP3.55
Rot. Bonds5

About 5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol

5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol (PubChem CID 135676045) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
PubChem CID135676045
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
SMILESCCOc1ccc(/C=N/Nc2cccc(C)c2)c(O)c1
InChIInChI=1S/C16H18N2O2/c1-3-20-15-8-7-13(16(19)10-15)11-17-18-14-6-4-5-12(2)9-14/h4-11,18-19H,3H2,1-2H3/b17-11+
InChIKeyVWHCTOKUVYCQRK-GZTJUZNOSA-N
XLogP3.55
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 ≤ 53.55
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

N-[(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 3788023
2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 4674688
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 135616077
2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 3099406
2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 135822458
2-[(phenylhydrazinylidene)methyl]-5-(2,2,2-trifluoroethoxy)phenol
CID 169383696
2-[(Z)-(phenylhydrazinylidene)methyl]-5-propan-2-yloxyphenol
CID 137068734
4-bromo-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135504175
2-(3,4-dimethylphenoxy)-N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 135590117
2,4-dibromo-6-[4-[(2E)-2-[(4-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135536505
5-ethoxy-2-[(3-iodophenyl)iminomethyl]phenol
CID 135704199
1-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 5332459

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol (CID 135676045) is 5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol is CCOc1ccc(/C=N/Nc2cccc(C)c2)c(O)c1.
What is the InChIKey of 5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol?
The InChIKey is VWHCTOKUVYCQRK-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-20-15-8-7-13(16(19)10-15)11-17-18-14-6-4-5-12(2)9-14/h4-11,18-19H,3H2,1-2H3/b17-11+.
What are the key properties of 5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol?
5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol has a molecular weight of 270.33 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135676045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).