[4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate

C22H18N2O5 — CID 162787179

IUPAC[4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H18N2O5/c1-28-20-5-3-2-4-19(20)22(27)29-18-12-6-15(7-13-18)14-23-24-21(26)16-8-10-17(25)11-9-16/h2-14,25H,1H3,(H,24,26)/b23-14+
InChIKeyUJMIQBKCENBASN-OEAKJJBVSA-N
MW390.40 g/mol
LogP3.38
Rot. Bonds6

About [4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate

[4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate (PubChem CID 162787179) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is [4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate
PubChem CID162787179
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name[4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H18N2O5/c1-28-20-5-3-2-4-19(20)22(27)29-18-12-6-15(7-13-18)14-23-24-21(26)16-8-10-17(25)11-9-16/h2-14,25H,1H3,(H,24,26)/b23-14+
InChIKeyUJMIQBKCENBASN-OEAKJJBVSA-N
XLogP3.38
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.38
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 3415609
[4-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 6294132
methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate
CID 3669406
[4-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 4112598
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 6130211
[4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6031077
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
CID 4095842
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
CID 4522165
[4-[(Z)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 6116646
[4-[[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 75087863
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate?
The IUPAC name of [4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate (CID 162787179) is [4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate.
What is the SMILES notation for [4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate?
The canonical SMILES for [4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate is COc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of [4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate?
The InChIKey is UJMIQBKCENBASN-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-28-20-5-3-2-4-19(20)22(27)29-18-12-6-15(7-13-18)14-23-24-21(26)16-8-10-17(25)11-9-16/h2-14,25H,1H3,(H,24,26)/b23-14+.
What are the key properties of [4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate?
[4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate has a molecular weight of 390.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate is sourced from PubChem (CID 162787179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).