2-[2-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

C17H14Cl2N2O5 — CID 5333629

IUPAC2-[2-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2O5/c18-12-5-6-15(13(19)7-12)25-9-16(22)21-20-8-11-3-1-2-4-14(11)26-10-17(23)24/h1-8H,9-10H2,(H,21,22)(H,23,24)/b20-8+
InChIKeyKLOHDDXLWDFSEY-DNTJNYDQSA-N
MW397.21 g/mol
LogP2.99
Rot. Bonds8

About 2-[2-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

2-[2-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 5333629) has the molecular formula C17H14Cl2N2O5 and a molecular weight of 397.21 g/mol. Its IUPAC name is 2-[2-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID5333629
Molecular FormulaC17H14Cl2N2O5
Molecular Weight397.21 g/mol
Exact Mass396.03
IUPAC Name2-[2-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2O5/c18-12-5-6-15(13(19)7-12)25-9-16(22)21-20-8-11-3-1-2-4-14(11)26-10-17(23)24/h1-8H,9-10H2,(H,21,22)(H,23,24)/b20-8+
InChIKeyKLOHDDXLWDFSEY-DNTJNYDQSA-N
XLogP2.99
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.21
LogP ≤ 52.99
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid (CID 5333629) is 2-[2-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is O=C(O)COc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is KLOHDDXLWDFSEY-DNTJNYDQSA-N. The full InChI is InChI=1S/C17H14Cl2N2O5/c18-12-5-6-15(13(19)7-12)25-9-16(22)21-20-8-11-3-1-2-4-14(11)26-10-17(23)24/h1-8H,9-10H2,(H,21,22)(H,23,24)/b20-8+.
What are the key properties of 2-[2-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 397.21 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 5333629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).