methyl 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate

C27H22N2O5 — CID 5457786

IUPACmethyl 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1
InChIInChI=1S/C27H22N2O5/c1-33-25(30)20-14-12-19(13-15-20)24-17-16-23(34-24)18-28-29-26(31)27(32,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-18,32H,1H3,(H,29,31)/b28-18-
InChIKeyGHGJPWRJFKCPIG-VEILYXNESA-N
MW454.48 g/mol
LogP4.12
Rot. Bonds7

About methyl 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate

methyl 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate (PubChem CID 5457786) has the molecular formula C27H22N2O5 and a molecular weight of 454.48 g/mol. Its IUPAC name is methyl 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate
PubChem CID5457786
Molecular FormulaC27H22N2O5
Molecular Weight454.48 g/mol
Exact Mass454.15
IUPAC Namemethyl 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1
InChIInChI=1S/C27H22N2O5/c1-33-25(30)20-14-12-19(13-15-20)24-17-16-23(34-24)18-28-29-26(31)27(32,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-18,32H,1H3,(H,29,31)/b28-18-
InChIKeyGHGJPWRJFKCPIG-VEILYXNESA-N
XLogP4.12
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-[5-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 1207687
methyl 4-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]benzoate
CID 3753828
4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 17389017
methyl 3-[5-[(Z)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 6255875
methyl 4-[5-[(Z)-[[2-(1,3-benzodioxol-5-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126089064
methyl 4-[5-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126237213
ethyl 4-[5-[(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 840770
4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 51138316
methyl 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoate
CID 141475171
methyl 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 40533746
2-hydroxy-N-[(E)-[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide
CID 137062754
methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 50883870

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate?
The IUPAC name of methyl 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate (CID 5457786) is methyl 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate.
What is the SMILES notation for methyl 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate?
The canonical SMILES for methyl 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate is COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1.
What is the InChIKey of methyl 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate?
The InChIKey is GHGJPWRJFKCPIG-VEILYXNESA-N. The full InChI is InChI=1S/C27H22N2O5/c1-33-25(30)20-14-12-19(13-15-20)24-17-16-23(34-24)18-28-29-26(31)27(32,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-18,32H,1H3,(H,29,31)/b28-18-.
What are the key properties of methyl 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate?
methyl 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate has a molecular weight of 454.48 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate is sourced from PubChem (CID 5457786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).