methyl 4-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]benzoate

C23H20N2O4 — CID 3753828

IUPACmethyl 4-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c1-29-21(26)18-14-12-17(13-15-18)16-24-25-22(27)23(28,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,28H,1H3,(H,25,27)
InChIKeyIOPLBLQSRMPXIP-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.86
Rot. Bonds6

About methyl 4-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]benzoate

methyl 4-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]benzoate (PubChem CID 3753828) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl 4-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]benzoate
PubChem CID3753828
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Namemethyl 4-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c1-29-21(26)18-14-12-17(13-15-18)16-24-25-22(27)23(28,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,28H,1H3,(H,25,27)
InChIKeyIOPLBLQSRMPXIP-UHFFFAOYSA-N
XLogP2.86
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 5457786
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6882140
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 134094114
[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 41271341
2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 6881941
2-hydroxy-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135765568
N-[[3,5-diiodo-4-(methylamino)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 3556040
N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 5498937
[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 6144041
N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 136794022
2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 1281852
2-hydroxy-2,2-diphenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 3486286

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 4-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]benzoate (CID 3753828) is methyl 4-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]benzoate is COC(=O)c1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of methyl 4-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]benzoate?
The InChIKey is IOPLBLQSRMPXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-29-21(26)18-14-12-17(13-15-18)16-24-25-22(27)23(28,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,28H,1H3,(H,25,27).
What are the key properties of methyl 4-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]benzoate?
methyl 4-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]benzoate has a molecular weight of 388.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 3753828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).