2,3-dimethoxy-6-[(E)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid

C19H20N2O7 — CID 6882235

IUPAC2,3-dimethoxy-6-[(E)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
SMILESCOc1ccc(OCC(=O)N/N=C/c2ccc(OC)c(OC)c2C(=O)O)cc1
InChIInChI=1S/C19H20N2O7/c1-25-13-5-7-14(8-6-13)28-11-16(22)21-20-10-12-4-9-15(26-2)18(27-3)17(12)19(23)24/h4-10H,11H2,1-3H3,(H,21,22)(H,23,24)/b20-10+
InChIKeyWNCJOZQZOVMYSU-KEBDBYFISA-N
MW388.38 g/mol
LogP1.94
Rot. Bonds9

About 2,3-dimethoxy-6-[(E)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid

2,3-dimethoxy-6-[(E)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid (PubChem CID 6882235) has the molecular formula C19H20N2O7 and a molecular weight of 388.38 g/mol. Its IUPAC name is 2,3-dimethoxy-6-[(E)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2,3-dimethoxy-6-[(E)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
PubChem CID6882235
Molecular FormulaC19H20N2O7
Molecular Weight388.38 g/mol
Exact Mass388.13
IUPAC Name2,3-dimethoxy-6-[(E)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
SMILESCOc1ccc(OCC(=O)N/N=C/c2ccc(OC)c(OC)c2C(=O)O)cc1
InChIInChI=1S/C19H20N2O7/c1-25-13-5-7-14(8-6-13)28-11-16(22)21-20-10-12-4-9-15(26-2)18(27-3)17(12)19(23)24/h4-10H,11H2,1-3H3,(H,21,22)(H,23,24)/b20-10+
InChIKeyWNCJOZQZOVMYSU-KEBDBYFISA-N
XLogP1.94
TPSA115.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 2,3-dimethoxy-6-[(E)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 2,3-dimethoxy-6-[(E)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid (CID 6882235) is 2,3-dimethoxy-6-[(E)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2,3-dimethoxy-6-[(E)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2,3-dimethoxy-6-[(E)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid is COc1ccc(OCC(=O)N/N=C/c2ccc(OC)c(OC)c2C(=O)O)cc1.
What is the InChIKey of 2,3-dimethoxy-6-[(E)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is WNCJOZQZOVMYSU-KEBDBYFISA-N. The full InChI is InChI=1S/C19H20N2O7/c1-25-13-5-7-14(8-6-13)28-11-16(22)21-20-10-12-4-9-15(26-2)18(27-3)17(12)19(23)24/h4-10H,11H2,1-3H3,(H,21,22)(H,23,24)/b20-10+.
What are the key properties of 2,3-dimethoxy-6-[(E)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
2,3-dimethoxy-6-[(E)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid has a molecular weight of 388.38 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-6-[(E)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 6882235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).