methyl 2-(4-chloro-3,5-dimethylphenoxy)ethanimidate

C11H14ClNO2 — CID 82288111

IUPACmethyl 2-(4-chloro-3,5-dimethylphenoxy)ethanimidate
SMILES[H]/N=C(/COc1cc(C)c(Cl)c(C)c1)OC
InChIInChI=1S/C11H14ClNO2/c1-7-4-9(5-8(2)11(7)12)15-6-10(13)14-3/h4-5,13H,6H2,1-3H3/b13-10-
InChIKeyKOPQTMZTHGEXAN-RAXLEYEMSA-N
MW227.69 g/mol
LogP2.96
Rot. Bonds3

About methyl 2-(4-chloro-3,5-dimethylphenoxy)ethanimidate

methyl 2-(4-chloro-3,5-dimethylphenoxy)ethanimidate (PubChem CID 82288111) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is methyl 2-(4-chloro-3,5-dimethylphenoxy)ethanimidate.

Molecular Properties

Compound Namemethyl 2-(4-chloro-3,5-dimethylphenoxy)ethanimidate
PubChem CID82288111
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Namemethyl 2-(4-chloro-3,5-dimethylphenoxy)ethanimidate
SMILES[H]/N=C(/COc1cc(C)c(Cl)c(C)c1)OC
InChIInChI=1S/C11H14ClNO2/c1-7-4-9(5-8(2)11(7)12)15-6-10(13)14-3/h4-5,13H,6H2,1-3H3/b13-10-
InChIKeyKOPQTMZTHGEXAN-RAXLEYEMSA-N
XLogP2.96
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl 2-(4-chloro-3,5-dimethylphenoxy)ethanimidate 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-(2,5-dichlorophenoxy)ethanimidate
CID 82290476
1-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropan-2-one
CID 107508114
methyl 2-(2,6-dichlorophenoxy)ethanimidate
CID 82290475
(4-chloro-3,5-dimethylphenyl) 2-(4-chloro-3,5-dimethylphenoxy)acetate
CID 19170867
1-(4-chloro-3,5-dimethylphenoxy)-3-methylbutan-2-one
CID 78949200
methyl 3-(4-chloro-3,5-dimethylphenoxy)-2,2-dimethylpropanoate
CID 79623048
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-ethoxyacetohydrazide
CID 17140821
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
N-tert-butyl-2-[(4-chloro-3,5-dimethylphenoxy)methyl]prop-2-en-1-amine
CID 103066935
2-(4-chloro-3,5-dimethylphenoxy)-1-[4-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 3559203
1-[4-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperazin-1-yl]-2-methoxyethanone
CID 108535690
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloro-3,5-dimethylphenoxy)ethanimidate?
The IUPAC name of methyl 2-(4-chloro-3,5-dimethylphenoxy)ethanimidate (CID 82288111) is methyl 2-(4-chloro-3,5-dimethylphenoxy)ethanimidate.
What is the SMILES notation for methyl 2-(4-chloro-3,5-dimethylphenoxy)ethanimidate?
The canonical SMILES for methyl 2-(4-chloro-3,5-dimethylphenoxy)ethanimidate is [H]/N=C(/COc1cc(C)c(Cl)c(C)c1)OC.
What is the InChIKey of methyl 2-(4-chloro-3,5-dimethylphenoxy)ethanimidate?
The InChIKey is KOPQTMZTHGEXAN-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7-4-9(5-8(2)11(7)12)15-6-10(13)14-3/h4-5,13H,6H2,1-3H3/b13-10-.
What are the key properties of methyl 2-(4-chloro-3,5-dimethylphenoxy)ethanimidate?
methyl 2-(4-chloro-3,5-dimethylphenoxy)ethanimidate has a molecular weight of 227.69 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloro-3,5-dimethylphenoxy)ethanimidate is sourced from PubChem (CID 82288111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).