(2Z)-2-[(E)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone

C22H18N2O3 — CID 6908484

IUPAC(2Z)-2-[(E)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESCOc1ccc(/C=N/N=C(\C(=O)c2ccccc2)c2ccccc2)cc1O
InChIInChI=1S/C22H18N2O3/c1-27-20-13-12-16(14-19(20)25)15-23-24-21(17-8-4-2-5-9-17)22(26)18-10-6-3-7-11-18/h2-15,25H,1H3/b23-15+,24-21-
InChIKeyFMZAVUQSCUBZSY-MJWRSECNSA-N
MW358.40 g/mol
LogP4.11
Rot. Bonds6

About (2Z)-2-[(E)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone

(2Z)-2-[(E)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 6908484) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is (2Z)-2-[(E)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2Z)-2-[(E)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID6908484
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name(2Z)-2-[(E)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESCOc1ccc(/C=N/N=C(\C(=O)c2ccccc2)c2ccccc2)cc1O
InChIInChI=1S/C22H18N2O3/c1-27-20-13-12-16(14-19(20)25)15-23-24-21(17-8-4-2-5-9-17)22(26)18-10-6-3-7-11-18/h2-15,25H,1H3/b23-15+,24-21-
InChIKeyFMZAVUQSCUBZSY-MJWRSECNSA-N
XLogP4.11
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 (2Z)-2-[(E)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of (2Z)-2-[(E)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone (CID 6908484) is (2Z)-2-[(E)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for (2Z)-2-[(E)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for (2Z)-2-[(E)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is COc1ccc(/C=N/N=C(\C(=O)c2ccccc2)c2ccccc2)cc1O.
What is the InChIKey of (2Z)-2-[(E)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is FMZAVUQSCUBZSY-MJWRSECNSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-27-20-13-12-16(14-19(20)25)15-23-24-21(17-8-4-2-5-9-17)22(26)18-10-6-3-7-11-18/h2-15,25H,1H3/b23-15+,24-21-.
What are the key properties of (2Z)-2-[(E)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
(2Z)-2-[(E)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone has a molecular weight of 358.40 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 6908484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).