2-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid

C17H16N2O4 — CID 6904634

IUPAC2-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
SMILESCc1cccc(OCC(=O)N/N=C/c2ccccc2C(=O)O)c1
InChIInChI=1S/C17H16N2O4/c1-12-5-4-7-14(9-12)23-11-16(20)19-18-10-13-6-2-3-8-15(13)17(21)22/h2-10H,11H2,1H3,(H,19,20)(H,21,22)/b18-10+
InChIKeyTYSIYZIFYWPUGQ-VCHYOVAHSA-N
MW312.33 g/mol
LogP2.22
Rot. Bonds6

About 2-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid

2-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid (PubChem CID 6904634) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
PubChem CID6904634
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
SMILESCc1cccc(OCC(=O)N/N=C/c2ccccc2C(=O)O)c1
InChIInChI=1S/C17H16N2O4/c1-12-5-4-7-14(9-12)23-11-16(20)19-18-10-13-6-2-3-8-15(13)17(21)22/h2-10H,11H2,1H3,(H,19,20)(H,21,22)/b18-10+
InChIKeyTYSIYZIFYWPUGQ-VCHYOVAHSA-N
XLogP2.22
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]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

CID 6882829
CID 6882829
CID 6902747
CID 6902747
CID 9636308
CID 9636308
CID 5334957
CID 5334957
CID 6894087
CID 6894087
CID 9592824
CID 9592824
CID 9592939
CID 9592939
CID 6882235
CID 6882235
CID 6882309
CID 6882309
CID 9624843
CID 9624843
CID 9676365
CID 9676365
CID 136264431
CID 136264431

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 2-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid (CID 6904634) is 2-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid is Cc1cccc(OCC(=O)N/N=C/c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is TYSIYZIFYWPUGQ-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-12-5-4-7-14(9-12)23-11-16(20)19-18-10-13-6-2-3-8-15(13)17(21)22/h2-10H,11H2,1H3,(H,19,20)(H,21,22)/b18-10+.
What are the key properties of 2-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
2-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid has a molecular weight of 312.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 6904634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).