4-[[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]methyl]benzoic acid

C17H18N2O4 — CID 134145537

IUPAC4-[[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]methyl]benzoic acid
SMILESCOc1ccc(/C=N/NCc2ccc(C(=O)O)cc2)c(OC)c1
InChIInChI=1S/C17H18N2O4/c1-22-15-8-7-14(16(9-15)23-2)11-19-18-10-12-3-5-13(6-4-12)17(20)21/h3-9,11,18H,10H2,1-2H3,(H,20,21)/b19-11+
InChIKeyOYTXSWUDFDKFHQ-YBFXNURJSA-N
MW314.34 g/mol
LogP2.53
Rot. Bonds7

About 4-[[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]methyl]benzoic acid

4-[[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]methyl]benzoic acid (PubChem CID 134145537) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-[[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]methyl]benzoic acid
PubChem CID134145537
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name4-[[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]methyl]benzoic acid
SMILESCOc1ccc(/C=N/NCc2ccc(C(=O)O)cc2)c(OC)c1
InChIInChI=1S/C17H18N2O4/c1-22-15-8-7-14(16(9-15)23-2)11-19-18-10-12-3-5-13(6-4-12)17(20)21/h3-9,11,18H,10H2,1-2H3,(H,20,21)/b19-11+
InChIKeyOYTXSWUDFDKFHQ-YBFXNURJSA-N
XLogP2.53
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.53
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'}

Analyze 4-[[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(Z)-(2,3,4-trimethoxyphenyl)methylidene]biphenyl-4-carbohydrazide
CID 6149153
2-(benzyloxy)-N'-[(1E)-(2,4-dimethoxyphenyl)methylene]benzohydrazide
CID 19657806
N''-[(E)-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-4-[(2-isopropyl-5-methyl-phenoxy)methyl]benzohydrazide
CID 135521587
methyl 4-[[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxymethyl]benzoate
CID 6905549
[2,6-dihydroxy-3-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] pentanoate
CID 137316481
4-[(E)-{2-[(3,5-dihydroxyphenyl)carbonyl]hydrazinylidene}methyl]phenyl 3-methylbenzoate
CID 25237266
N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]benzohydrazide
CID 6861453
4-chloro-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 136062134
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 136184461
Benzohydrazide, 2-hydroxy-N2-[1-(2,4-dimethoxyphenyl)ethylideno]-
CID 5397447
2,4-Dihydroxy-N'-(3,4,5-trimethoxybenzylidene)benzohydrazide
CID 9637005
2,4-dihydroxy-N'-(4-methoxybenzylidene)benzohydrazide
CID 75087456

Frequently Asked Questions

What is the IUPAC name of 4-[[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]methyl]benzoic acid?
The IUPAC name of 4-[[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]methyl]benzoic acid (CID 134145537) is 4-[[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]methyl]benzoic acid.
What is the SMILES notation for 4-[[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]methyl]benzoic acid?
The canonical SMILES for 4-[[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]methyl]benzoic acid is COc1ccc(/C=N/NCc2ccc(C(=O)O)cc2)c(OC)c1.
What is the InChIKey of 4-[[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]methyl]benzoic acid?
The InChIKey is OYTXSWUDFDKFHQ-YBFXNURJSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-15-8-7-14(16(9-15)23-2)11-19-18-10-12-3-5-13(6-4-12)17(20)21/h3-9,11,18H,10H2,1-2H3,(H,20,21)/b19-11+.
What are the key properties of 4-[[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]methyl]benzoic acid?
4-[[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]methyl]benzoic acid has a molecular weight of 314.34 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]methyl]benzoic acid is sourced from PubChem (CID 134145537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).