4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]phenol

C20H18N2O — CID 135520003

IUPAC4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O/c23-20-13-11-17(12-14-20)15-21-22(19-9-5-2-6-10-19)16-18-7-3-1-4-8-18/h1-15,23H,16H2/b21-15+
InChIKeyMGFQMIOKHWTHEB-RCCKNPSSSA-N
MW302.38 g/mol
LogP4.43
Rot. Bonds5

About 4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]phenol

4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]phenol (PubChem CID 135520003) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]phenol
PubChem CID135520003
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O/c23-20-13-11-17(12-14-20)15-21-22(19-9-5-2-6-10-19)16-18-7-3-1-4-8-18/h1-15,23H,16H2/b21-15+
InChIKeyMGFQMIOKHWTHEB-RCCKNPSSSA-N
XLogP4.43
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]phenol (CID 135520003) is 4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]phenol is Oc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]phenol?
The InChIKey is MGFQMIOKHWTHEB-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H18N2O/c23-20-13-11-17(12-14-20)15-21-22(19-9-5-2-6-10-19)16-18-7-3-1-4-8-18/h1-15,23H,16H2/b21-15+.
What are the key properties of 4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]phenol?
4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]phenol has a molecular weight of 302.38 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135520003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).