2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid

C19H22N2O6 — CID 133169157

IUPAC2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid
SMILESCOc1ccc(CN/N=C/c2ccc(OCC(=O)O)c(OC)c2)cc1OC
InChIInChI=1S/C19H22N2O6/c1-24-15-6-4-13(8-17(15)25-2)10-20-21-11-14-5-7-16(18(9-14)26-3)27-12-19(22)23/h4-9,11,20H,10,12H2,1-3H3,(H,22,23)/b21-11+
InChIKeyLEHUXNFBDCCFOB-SRZZPIQSSA-N
MW374.39 g/mol
LogP2.30
Rot. Bonds10

About 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid

2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid (PubChem CID 133169157) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid
PubChem CID133169157
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid
SMILESCOc1ccc(CN/N=C/c2ccc(OCC(=O)O)c(OC)c2)cc1OC
InChIInChI=1S/C19H22N2O6/c1-24-15-6-4-13(8-17(15)25-2)10-20-21-11-14-5-7-16(18(9-14)26-3)27-12-19(22)23/h4-9,11,20H,10,12H2,1-3H3,(H,22,23)/b21-11+
InChIKeyLEHUXNFBDCCFOB-SRZZPIQSSA-N
XLogP2.30
TPSA98.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.30
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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Related Compounds

2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetic acid
CID 803110
2-[2-ethoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid
CID 17245995
methyl 2-[2-bromo-4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-6-methoxyphenoxy]acetate
CID 133169184
ethyl 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetate
CID 133171031
2-[4-[(E)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 19061536
2-[4-[(benzylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 110839716
1-(3,4-dimethoxyphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]methanamine
CID 92658261
2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid
CID 87800721
1-(3,4-dimethoxyphenyl)-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]methanamine
CID 92658500
2-[4-[[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 3135110
4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol
CID 136727524
2-[2-methoxy-4-[(Z)-[[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989984

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid?
The IUPAC name of 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid (CID 133169157) is 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid?
The canonical SMILES for 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid is COc1ccc(CN/N=C/c2ccc(OCC(=O)O)c(OC)c2)cc1OC.
What is the InChIKey of 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid?
The InChIKey is LEHUXNFBDCCFOB-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-24-15-6-4-13(8-17(15)25-2)10-20-21-11-14-5-7-16(18(9-14)26-3)27-12-19(22)23/h4-9,11,20H,10,12H2,1-3H3,(H,22,23)/b21-11+.
What are the key properties of 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid?
2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid has a molecular weight of 374.39 g/mol, XLogP of 2.30, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid is sourced from PubChem (CID 133169157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).