4-[(E)-(dibenzylhydrazinylidene)methyl]phenol

C21H20N2O — CID 135409477

IUPAC4-[(E)-(dibenzylhydrazinylidene)methyl]phenol
SMILESOc1ccc(/C=N/N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C21H20N2O/c24-21-13-11-18(12-14-21)15-22-23(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-15,24H,16-17H2/b22-15+
InChIKeyMVSJKTQQXQNEHK-PXLXIMEGSA-N
MW316.40 g/mol
LogP4.43
Rot. Bonds6

About 4-[(E)-(dibenzylhydrazinylidene)methyl]phenol

4-[(E)-(dibenzylhydrazinylidene)methyl]phenol (PubChem CID 135409477) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-[(E)-(dibenzylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-[(E)-(dibenzylhydrazinylidene)methyl]phenol
PubChem CID135409477
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name4-[(E)-(dibenzylhydrazinylidene)methyl]phenol
SMILESOc1ccc(/C=N/N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C21H20N2O/c24-21-13-11-18(12-14-21)15-22-23(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-15,24H,16-17H2/b22-15+
InChIKeyMVSJKTQQXQNEHK-PXLXIMEGSA-N
XLogP4.43
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
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)-(dibenzylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-[(E)-(dibenzylhydrazinylidene)methyl]phenol (CID 135409477) is 4-[(E)-(dibenzylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-[(E)-(dibenzylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-[(E)-(dibenzylhydrazinylidene)methyl]phenol is Oc1ccc(/C=N/N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of 4-[(E)-(dibenzylhydrazinylidene)methyl]phenol?
The InChIKey is MVSJKTQQXQNEHK-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H20N2O/c24-21-13-11-18(12-14-21)15-22-23(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-15,24H,16-17H2/b22-15+.
What are the key properties of 4-[(E)-(dibenzylhydrazinylidene)methyl]phenol?
4-[(E)-(dibenzylhydrazinylidene)methyl]phenol has a molecular weight of 316.40 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(dibenzylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135409477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).