methyl 4-[(diphenylhydrazinylidene)methyl]benzoate

C21H18N2O2 — CID 5187336

IUPACmethyl 4-[(diphenylhydrazinylidene)methyl]benzoate
SMILESCOC(=O)c1ccc(C=NN(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18N2O2/c1-25-21(24)18-14-12-17(13-15-18)16-22-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16H,1H3
InChIKeyXZROJQWYDFKGPF-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.65
Rot. Bonds5

About methyl 4-[(diphenylhydrazinylidene)methyl]benzoate

methyl 4-[(diphenylhydrazinylidene)methyl]benzoate (PubChem CID 5187336) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is methyl 4-[(diphenylhydrazinylidene)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(diphenylhydrazinylidene)methyl]benzoate
PubChem CID5187336
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Namemethyl 4-[(diphenylhydrazinylidene)methyl]benzoate
SMILESCOC(=O)c1ccc(C=NN(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18N2O2/c1-25-21(24)18-14-12-17(13-15-18)16-22-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16H,1H3
InChIKeyXZROJQWYDFKGPF-UHFFFAOYSA-N
XLogP4.65
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 5053665
methyl 4-[(E)-[(2-fluorobenzoyl)-methylhydrazinylidene]methyl]benzoate
CID 168908043
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 42614307
methyl 4-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]benzoate
CID 3753828
methyl 4-[(E)-[(4-methoxycarbonylphenyl)-[(E)-(4-methoxycarbonylphenyl)methylideneamino]methyl]iminomethyl]benzoate
CID 53473073
methyl 4-[[4-[[(4-methoxycarbonylphenyl)methylideneamino]methyl]phenyl]methyliminomethyl]benzoate
CID 134959377
methyl 4-(N-naphthalen-2-ylanilino)benzoate
CID 165349713
ethane;methoxymethane;methyl benzoate
CID 90999424
4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid
CID 59310556
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(diphenylhydrazinylidene)methyl]benzoate?
The IUPAC name of methyl 4-[(diphenylhydrazinylidene)methyl]benzoate (CID 5187336) is methyl 4-[(diphenylhydrazinylidene)methyl]benzoate.
What is the SMILES notation for methyl 4-[(diphenylhydrazinylidene)methyl]benzoate?
The canonical SMILES for methyl 4-[(diphenylhydrazinylidene)methyl]benzoate is COC(=O)c1ccc(C=NN(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of methyl 4-[(diphenylhydrazinylidene)methyl]benzoate?
The InChIKey is XZROJQWYDFKGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-25-21(24)18-14-12-17(13-15-18)16-22-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16H,1H3.
What are the key properties of methyl 4-[(diphenylhydrazinylidene)methyl]benzoate?
methyl 4-[(diphenylhydrazinylidene)methyl]benzoate has a molecular weight of 330.39 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(diphenylhydrazinylidene)methyl]benzoate is sourced from PubChem (CID 5187336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).