[4-[(E)-[(4-hydroxy-3-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate

C23H20N2O6 — CID 25237271

IUPAC[4-[(E)-[(4-hydroxy-3-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
SMILESCOc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)ccc1O
InChIInChI=1S/C23H20N2O6/c1-29-20-13-17(9-10-18(20)26)22(27)25-24-14-15-8-11-19(21(12-15)30-2)31-23(28)16-6-4-3-5-7-16/h3-14,26H,1-2H3,(H,25,27)/b24-14+
InChIKeyPKUGXGRKRVHFRQ-ZVHZXABRSA-N
MW420.42 g/mol
LogP3.39
Rot. Bonds7

About [4-[(E)-[(4-hydroxy-3-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate

[4-[(E)-[(4-hydroxy-3-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate (PubChem CID 25237271) has the molecular formula C23H20N2O6 and a molecular weight of 420.42 g/mol. Its IUPAC name is [4-[(E)-[(4-hydroxy-3-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate.

Molecular Properties

Compound Name[4-[(E)-[(4-hydroxy-3-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
PubChem CID25237271
Molecular FormulaC23H20N2O6
Molecular Weight420.42 g/mol
Exact Mass420.13
IUPAC Name[4-[(E)-[(4-hydroxy-3-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
SMILESCOc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)ccc1O
InChIInChI=1S/C23H20N2O6/c1-29-20-13-17(9-10-18(20)26)22(27)25-24-14-15-8-11-19(21(12-15)30-2)31-23(28)16-6-4-3-5-7-16/h3-14,26H,1-2H3,(H,25,27)/b24-14+
InChIKeyPKUGXGRKRVHFRQ-ZVHZXABRSA-N
XLogP3.39
TPSA106.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N'-(4-(Benzyloxy)benzylidene)-4-hydroxybenzohydrazide
CID 6900270
(E)-3,4-Dihydroxy-N'-((2-methoxynaphthalen-1-YL)methylene)benzohydrazide
CID 9562794
N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 5503194
4-(benzyloxy)-N'-[(E)-phenylmethylidene]benzohydrazide
CID 9598505
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 135576617
3,4-Dimethoxy-N'-(2-methyl-3-phenyl-2-propenylidene)benzohydrazide
CID 5411894
Benzoic (4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135437609
2-[(E)-{2-[(3,4-dimethoxyphenyl)carbonyl]hydrazinylidene}methyl]benzoic acid
CID 6906996
N'-(4-(benzyloxy)-3-methoxybenzylidene)benzo[d][1,3]dioxole-5-carbohydrazide
CID 9618971
4-{(E)-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)hydrazinylidene]methyl}benzoic acid
CID 6883104
N'-[(E)-(3-hydroxyphenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 6883303
3-[5-[(E)-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 6884089

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-[(4-hydroxy-3-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate?
The IUPAC name of [4-[(E)-[(4-hydroxy-3-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate (CID 25237271) is [4-[(E)-[(4-hydroxy-3-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate.
What is the SMILES notation for [4-[(E)-[(4-hydroxy-3-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate?
The canonical SMILES for [4-[(E)-[(4-hydroxy-3-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate is COc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)ccc1O.
What is the InChIKey of [4-[(E)-[(4-hydroxy-3-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate?
The InChIKey is PKUGXGRKRVHFRQ-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H20N2O6/c1-29-20-13-17(9-10-18(20)26)22(27)25-24-14-15-8-11-19(21(12-15)30-2)31-23(28)16-6-4-3-5-7-16/h3-14,26H,1-2H3,(H,25,27)/b24-14+.
What are the key properties of [4-[(E)-[(4-hydroxy-3-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate?
[4-[(E)-[(4-hydroxy-3-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate has a molecular weight of 420.42 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-[(4-hydroxy-3-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate is sourced from PubChem (CID 25237271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).