2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid

C17H16N2O5 — CID 912843

IUPAC2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
SMILESCOc1ccc(OCC(=O)NN=Cc2ccccc2C(=O)O)cc1
InChIInChI=1S/C17H16N2O5/c1-23-13-6-8-14(9-7-13)24-11-16(20)19-18-10-12-4-2-3-5-15(12)17(21)22/h2-10H,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyWYRPJRPSCDGVBS-UHFFFAOYSA-N
MW328.32 g/mol
LogP1.92
Rot. Bonds7

About 2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid

2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid (PubChem CID 912843) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
PubChem CID912843
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
SMILESCOc1ccc(OCC(=O)NN=Cc2ccccc2C(=O)O)cc1
InChIInChI=1S/C17H16N2O5/c1-23-13-6-8-14(9-7-13)24-11-16(20)19-18-10-12-4-2-3-5-15(12)17(21)22/h2-10H,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyWYRPJRPSCDGVBS-UHFFFAOYSA-N
XLogP1.92
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.92
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 2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid with MolForge

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Related Compounds

methyl 2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9217614
[2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 5410556
2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6870627
2-[(E)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190252
N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4924837
2-[(E)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 6911092
[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6271641
ethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 3510174
2-(4-methoxyphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6386524
2-[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5429334
2-[(E)-[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190263
2-(4-methoxyphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5425519

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid (CID 912843) is 2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid is COc1ccc(OCC(=O)NN=Cc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is WYRPJRPSCDGVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-23-13-6-8-14(9-7-13)24-11-16(20)19-18-10-12-4-2-3-5-15(12)17(21)22/h2-10H,11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid has a molecular weight of 328.32 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 912843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).