2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone

C21H16N2O2 — CID 694477

IUPAC2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESO=C(C(=NN=Cc1ccccc1O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2O2/c24-19-14-8-7-13-18(19)15-22-23-20(16-9-3-1-4-10-16)21(25)17-11-5-2-6-12-17/h1-15,24H
InChIKeyGBEHFRQBHHPILT-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.10
Rot. Bonds5

About 2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone

2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 694477) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID694477
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESO=C(C(=NN=Cc1ccccc1O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2O2/c24-19-14-8-7-13-18(19)15-22-23-20(16-9-3-1-4-10-16)21(25)17-11-5-2-6-12-17/h1-15,24H
InChIKeyGBEHFRQBHHPILT-UHFFFAOYSA-N
XLogP4.10
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.10
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_one_A(321)', '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-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of 2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone (CID 694477) is 2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for 2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is O=C(C(=NN=Cc1ccccc1O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is GBEHFRQBHHPILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-19-14-8-7-13-18(19)15-22-23-20(16-9-3-1-4-10-16)21(25)17-11-5-2-6-12-17/h1-15,24H.
What are the key properties of 2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone has a molecular weight of 328.37 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 694477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).