(2E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone

C23H20N2O3 — CID 135736502

IUPAC(2E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESCCOc1cccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C23H20N2O3/c1-2-28-20-15-9-14-19(22(20)26)16-24-25-21(17-10-5-3-6-11-17)23(27)18-12-7-4-8-13-18/h3-16,26H,2H2,1H3/b24-16+,25-21+
InChIKeyVUMSGOUTNRAJBF-ADGWQJBRSA-N
MW372.42 g/mol
LogP4.50
Rot. Bonds7

About (2E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone

(2E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 135736502) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is (2E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID135736502
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name(2E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESCCOc1cccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C23H20N2O3/c1-2-28-20-15-9-14-19(22(20)26)16-24-25-21(17-10-5-3-6-11-17)23(27)18-12-7-4-8-13-18/h3-16,26H,2H2,1H3/b24-16+,25-21+
InChIKeyVUMSGOUTNRAJBF-ADGWQJBRSA-N
XLogP4.50
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
benzyl N'-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamimidothioate
CID 168610989
2-[2-ethoxy-4-[(E)-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]phenoxy]-N,N-dimethylacetamide
CID 6893253
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
4-ethoxy-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135702023
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2551534
2-[(4-benzhydrylpiperazin-1-yl)iminomethyl]-6-ethoxyphenol
CID 2868303
4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 1356754
methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022
2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
CID 139177834
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3632483

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of (2E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone (CID 135736502) is (2E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for (2E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for (2E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is CCOc1cccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)c1O.
What is the InChIKey of (2E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is VUMSGOUTNRAJBF-ADGWQJBRSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-2-28-20-15-9-14-19(22(20)26)16-24-25-21(17-10-5-3-6-11-17)23(27)18-12-7-4-8-13-18/h3-16,26H,2H2,1H3/b24-16+,25-21+.
What are the key properties of (2E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
(2E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone has a molecular weight of 372.42 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 135736502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).