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

C17H16N2O5 — CID 19208670

IUPAC4-[(E)-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
SMILESCOc1cccc(OCC(=O)N/N=C/c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C17H16N2O5/c1-23-14-3-2-4-15(9-14)24-11-16(20)19-18-10-12-5-7-13(8-6-12)17(21)22/h2-10H,11H2,1H3,(H,19,20)(H,21,22)/b18-10+
InChIKeyWEBRFLHRUQTJIH-VCHYOVAHSA-N
MW328.32 g/mol
LogP1.92
Rot. Bonds7

About 4-[(E)-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid

4-[(E)-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid (PubChem CID 19208670) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 4-[(E)-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-[(E)-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
PubChem CID19208670
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name4-[(E)-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
SMILESCOc1cccc(OCC(=O)N/N=C/c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C17H16N2O5/c1-23-14-3-2-4-15(9-14)24-11-16(20)19-18-10-12-5-7-13(8-6-12)17(21)22/h2-10H,11H2,1H3,(H,19,20)(H,21,22)/b18-10+
InChIKeyWEBRFLHRUQTJIH-VCHYOVAHSA-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'}

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Related Compounds

4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 9241516
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
CID 19208653
4-[(Z)-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 6029442
2-(3-methoxyphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 19208665
methyl 4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9242023
4-[(E)-[[2-(4-bromo-3-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190233
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
CID 135805040
4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 784771
methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 2303785
2-(3-methoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 19208624
4-[(E)-[[2-(4-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190230
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 4-[(E)-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid (CID 19208670) is 4-[(E)-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 4-[(E)-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 4-[(E)-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid is COc1cccc(OCC(=O)N/N=C/c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[(E)-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is WEBRFLHRUQTJIH-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-23-14-3-2-4-15(9-14)24-11-16(20)19-18-10-12-5-7-13(8-6-12)17(21)22/h2-10H,11H2,1H3,(H,19,20)(H,21,22)/b18-10+.
What are the key properties of 4-[(E)-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
4-[(E)-[[2-(3-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 4-[(E)-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 19208670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).