2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol

C17H20N2O2 — CID 135571924

IUPAC2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol
SMILESCCCOc1ccc(/C=N/N(C)c2ccccc2)c(O)c1
InChIInChI=1S/C17H20N2O2/c1-3-11-21-16-10-9-14(17(20)12-16)13-18-19(2)15-7-5-4-6-8-15/h4-10,12-13,20H,3,11H2,1-2H3/b18-13+
InChIKeyQUCRLFWAPKRLHX-QGOAFFKASA-N
MW284.36 g/mol
LogP3.65
Rot. Bonds6

About 2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol

2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol (PubChem CID 135571924) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol.

Molecular Properties

Compound Name2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol
PubChem CID135571924
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol
SMILESCCCOc1ccc(/C=N/N(C)c2ccccc2)c(O)c1
InChIInChI=1S/C17H20N2O2/c1-3-11-21-16-10-9-14(17(20)12-16)13-18-19(2)15-7-5-4-6-8-15/h4-10,12-13,20H,3,11H2,1-2H3/b18-13+
InChIKeyQUCRLFWAPKRLHX-QGOAFFKASA-N
XLogP3.65
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
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

5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol
CID 135621779
2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol
CID 135682513
2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine
CID 2387794
2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 135852605
N-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline
CID 143565465
2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol
CID 135699896
5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 136722310
5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 136897173
5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol
CID 137158267
2-[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]iminomethyl]-5-propoxyphenol
CID 135596420
5-dodecoxy-2-(2-phenylethyliminomethyl)phenol
CID 139071672
2-(1,3-benzodioxol-5-yliminomethyl)-5-propoxyphenol
CID 135787703

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol?
The IUPAC name of 2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol (CID 135571924) is 2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol.
What is the SMILES notation for 2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol?
The canonical SMILES for 2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol is CCCOc1ccc(/C=N/N(C)c2ccccc2)c(O)c1.
What is the InChIKey of 2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol?
The InChIKey is QUCRLFWAPKRLHX-QGOAFFKASA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-11-21-16-10-9-14(17(20)12-16)13-18-19(2)15-7-5-4-6-8-15/h4-10,12-13,20H,3,11H2,1-2H3/b18-13+.
What are the key properties of 2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol?
2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol has a molecular weight of 284.36 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol is sourced from PubChem (CID 135571924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).