(2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone

C23H20N2O4 — CID 135401322

IUPAC(2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESCOc1cc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc(OC)c1O
InChIInChI=1S/C23H20N2O4/c1-28-19-13-16(14-20(29-2)23(19)27)15-24-25-21(17-9-5-3-6-10-17)22(26)18-11-7-4-8-12-18/h3-15,27H,1-2H3/b24-15+,25-21+
InChIKeyANLAVYGXYIXQSU-GFUUNDCYSA-N
MW388.42 g/mol
LogP4.12
Rot. Bonds7

About (2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone

(2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 135401322) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is (2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID135401322
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name(2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESCOc1cc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc(OC)c1O
InChIInChI=1S/C23H20N2O4/c1-28-19-13-16(14-20(29-2)23(19)27)15-24-25-21(17-9-5-3-6-10-17)22(26)18-11-7-4-8-12-18/h3-15,27H,1-2H3/b24-15+,25-21+
InChIKeyANLAVYGXYIXQSU-GFUUNDCYSA-N
XLogP4.12
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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'}

Analyze (2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone with MolForge

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Related Compounds

Phenstatin
CID 9948888
4-Hydroxy-3,5-dimethoxybenzaldehyde azine
CID 135401234
Syringaldazine
CID 84422
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135735439
3-(3-Hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 9902795
(E)-3-(3-hydroxy-4-methoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)phenyl]prop-2-en-1-one
CID 118725318
(E)-3-(3-hydroxy-4-methoxyphenyl)-1-(3-hydroxy-5-methoxyphenyl)prop-2-en-1-one
CID 53329232
1-(3-Hydroxy-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 11221700
(E)-3-(3-hydroxy-4-methoxyphenyl)-2-(2-hydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 46226745
(2E)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-1-(3,4,5-trimethoxyphenyl)pentan-1-one
CID 46226746
3-(3-Hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 52941878
(3,4-Dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone
CID 56666165

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of (2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone (CID 135401322) is (2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for (2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for (2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is COc1cc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc(OC)c1O.
What is the InChIKey of (2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is ANLAVYGXYIXQSU-GFUUNDCYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-28-19-13-16(14-20(29-2)23(19)27)15-24-25-21(17-9-5-3-6-10-17)22(26)18-11-7-4-8-12-18/h3-15,27H,1-2H3/b24-15+,25-21+.
What are the key properties of (2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
(2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone has a molecular weight of 388.42 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 135401322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).