methyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate

C17H17NO4 — CID 94832083

IUPACmethyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(/C=N/c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H17NO4/c1-20-15-9-5-14(6-10-15)18-11-13-3-7-16(8-4-13)22-12-17(19)21-2/h3-11H,12H2,1-2H3/b18-11+
InChIKeyUOEJFNPQXOMBBQ-WOJGMQOQSA-N
MW299.33 g/mol
LogP3.00
Rot. Bonds6

About methyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate

methyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate (PubChem CID 94832083) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate
PubChem CID94832083
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(/C=N/c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H17NO4/c1-20-15-9-5-14(6-10-15)18-11-13-3-7-16(8-4-13)22-12-17(19)21-2/h3-11H,12H2,1-2H3/b18-11+
InChIKeyUOEJFNPQXOMBBQ-WOJGMQOQSA-N
XLogP3.00
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]acetate
CID 3677124
2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 94832090
2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 94832076
1-(4-methoxyphenyl)-N-(4-propoxyphenyl)methanimine
CID 71354195
methyl 2-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
CID 9067372
(4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate
CID 102302326
1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 102149823
1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine
CID 101153259
N-(4-hexoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 86094874
methyl 2-[4-[(E)-(2-methylpropanoylhydrazinylidene)methyl]phenoxy]acetate
CID 94833193
bis[3-[4-[(4-butoxyphenyl)iminomethyl]phenoxy]propyl] propanedioate
CID 101231338
tert-butyl 2-(4-formylphenoxy)acetate;tert-butyl 2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetate
CID 159406771

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate (CID 94832083) is methyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate is COC(=O)COc1ccc(/C=N/c2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate?
The InChIKey is UOEJFNPQXOMBBQ-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H17NO4/c1-20-15-9-5-14(6-10-15)18-11-13-3-7-16(8-4-13)22-12-17(19)21-2/h3-11H,12H2,1-2H3/b18-11+.
What are the key properties of methyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate?
methyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate has a molecular weight of 299.33 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate is sourced from PubChem (CID 94832083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).