[3-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate

C22H18N2O5 — CID 3728498

IUPAC[3-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cccc(C=NNC(=O)c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C22H18N2O5/c1-28-19-11-7-17(8-12-19)22(27)29-20-4-2-3-15(13-20)14-23-24-21(26)16-5-9-18(25)10-6-16/h2-14,25H,1H3,(H,24,26)
InChIKeyXRVXOSTUIHEECB-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.38
Rot. Bonds6

About [3-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate

[3-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate (PubChem CID 3728498) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is [3-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[3-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
PubChem CID3728498
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name[3-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cccc(C=NNC(=O)c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C22H18N2O5/c1-28-19-11-7-17(8-12-19)22(27)29-20-4-2-3-15(13-20)14-23-24-21(26)16-5-9-18(25)10-6-16/h2-14,25H,1H3,(H,24,26)
InChIKeyXRVXOSTUIHEECB-UHFFFAOYSA-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

[3-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 1001770
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5418227
[3-[(carbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 958120
[3-[(E)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 51061566
4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
CID 913508
[3-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 51061435
[3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 6104777
[3-[(E)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 51060419
[3-[[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 3870967
N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide
CID 75306201
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430

Frequently Asked Questions

What is the IUPAC name of [3-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate?
The IUPAC name of [3-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate (CID 3728498) is [3-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate.
What is the SMILES notation for [3-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate?
The canonical SMILES for [3-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate is COc1ccc(C(=O)Oc2cccc(C=NNC(=O)c3ccc(O)cc3)c2)cc1.
What is the InChIKey of [3-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate?
The InChIKey is XRVXOSTUIHEECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-28-19-11-7-17(8-12-19)22(27)29-20-4-2-3-15(13-20)14-23-24-21(26)16-5-9-18(25)10-6-16/h2-14,25H,1H3,(H,24,26).
What are the key properties of [3-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate?
[3-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-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 [3-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate is sourced from PubChem (CID 3728498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).