2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]phenol

C13H11ClN2O — CID 135567958

IUPAC2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/Nc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O/c14-11-5-7-12(8-6-11)16-15-9-10-3-1-2-4-13(10)17/h1-9,16-17H/b15-9+
InChIKeyWGALJUGSRQATOD-OQLLNIDSSA-N
MW246.70 g/mol
LogP3.49
Rot. Bonds3

About 2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]phenol

2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]phenol (PubChem CID 135567958) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]phenol
PubChem CID135567958
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/Nc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O/c14-11-5-7-12(8-6-11)16-15-9-10-3-1-2-4-13(10)17/h1-9,16-17H/b15-9+
InChIKeyWGALJUGSRQATOD-OQLLNIDSSA-N
XLogP3.49
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]phenol (CID 135567958) is 2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]phenol is Oc1ccccc1/C=N/Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is WGALJUGSRQATOD-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-11-5-7-12(8-6-11)16-15-9-10-3-1-2-4-13(10)17/h1-9,16-17H/b15-9+.
What are the key properties of 2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]phenol?
2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 246.70 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135567958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).