2-[3-[(Z)-[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid

C18H18N2O6 — CID 6310576

IUPAC2-[3-[(Z)-[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCOc1cc(OC)cc(C(=O)N/N=C\c2cccc(OCC(=O)O)c2)c1
InChIInChI=1S/C18H18N2O6/c1-24-15-7-13(8-16(9-15)25-2)18(23)20-19-10-12-4-3-5-14(6-12)26-11-17(21)22/h3-10H,11H2,1-2H3,(H,20,23)(H,21,22)/b19-10-
InChIKeyWXGQLZFRPFNCCI-GRSHGNNSSA-N
MW358.35 g/mol
LogP1.93
Rot. Bonds8

About 2-[3-[(Z)-[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid

2-[3-[(Z)-[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 6310576) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-[3-[(Z)-[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(Z)-[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID6310576
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name2-[3-[(Z)-[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCOc1cc(OC)cc(C(=O)N/N=C\c2cccc(OCC(=O)O)c2)c1
InChIInChI=1S/C18H18N2O6/c1-24-15-7-13(8-16(9-15)25-2)18(23)20-19-10-12-4-3-5-14(6-12)26-11-17(21)22/h3-10H,11H2,1-2H3,(H,20,23)(H,21,22)/b19-10-
InChIKeyWXGQLZFRPFNCCI-GRSHGNNSSA-N
XLogP1.93
TPSA106.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4035546
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 5427556
2-[3-[(E)-[(3-methoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126329068
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide
CID 5412030
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid
CID 29148193
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
CID 19208653
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide
CID 75306201
methyl 2-[3-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]acetate
CID 5426337
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(Z)-[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid (CID 6310576) is 2-[3-[(Z)-[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(Z)-[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(Z)-[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid is COc1cc(OC)cc(C(=O)N/N=C\c2cccc(OCC(=O)O)c2)c1.
What is the InChIKey of 2-[3-[(Z)-[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is WXGQLZFRPFNCCI-GRSHGNNSSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-24-15-7-13(8-16(9-15)25-2)18(23)20-19-10-12-4-3-5-14(6-12)26-11-17(21)22/h3-10H,11H2,1-2H3,(H,20,23)(H,21,22)/b19-10-.
What are the key properties of 2-[3-[(Z)-[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid?
2-[3-[(Z)-[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 358.35 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(Z)-[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 6310576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).