methyl 2-(2,5-dichlorophenoxy)ethanimidate

C9H9Cl2NO2 — CID 82290476

IUPACmethyl 2-(2,5-dichlorophenoxy)ethanimidate
SMILES[H]/N=C(/COc1cc(Cl)ccc1Cl)OC
InChIInChI=1S/C9H9Cl2NO2/c1-13-9(12)5-14-8-4-6(10)2-3-7(8)11/h2-4,12H,5H2,1H3/b12-9-
InChIKeyHOYVBCZLECAFOY-XFXZXTDPSA-N
MW234.08 g/mol
LogP3.00
Rot. Bonds3

About methyl 2-(2,5-dichlorophenoxy)ethanimidate

methyl 2-(2,5-dichlorophenoxy)ethanimidate (PubChem CID 82290476) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is methyl 2-(2,5-dichlorophenoxy)ethanimidate.

Molecular Properties

Compound Namemethyl 2-(2,5-dichlorophenoxy)ethanimidate
PubChem CID82290476
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Namemethyl 2-(2,5-dichlorophenoxy)ethanimidate
SMILES[H]/N=C(/COc1cc(Cl)ccc1Cl)OC
InChIInChI=1S/C9H9Cl2NO2/c1-13-9(12)5-14-8-4-6(10)2-3-7(8)11/h2-4,12H,5H2,1H3/b12-9-
InChIKeyHOYVBCZLECAFOY-XFXZXTDPSA-N
XLogP3.00
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 53.00
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'}

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Related Compounds

methyl 2-(2,6-dichlorophenoxy)ethanimidate
CID 82290475
methyl 2-(4-chloro-3,5-dimethylphenoxy)ethanimidate
CID 82288111
1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene
CID 154157151
4-(2,5-dichlorophenoxy)-2-ethanimidoyl-3-oxobutanenitrile
CID 7481444
(2R)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 106933028
methyl 2-amino-3-(2,5-dichlorophenoxy)propanoate
CID 116820903
1,4-dichloro-2-(2,2-dimethylpropoxy)benzene
CID 66988103
N-(2-chloro-4,5-dimethoxyphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 24685752
ethyl 4-(2,5-dichlorophenoxy)-3-oxobutanoate
CID 60644149
1-[[2-(2,5-dichlorophenoxy)acetyl]amino]-3-methylthiourea
CID 4502855
2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 47115759

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dichlorophenoxy)ethanimidate?
The IUPAC name of methyl 2-(2,5-dichlorophenoxy)ethanimidate (CID 82290476) is methyl 2-(2,5-dichlorophenoxy)ethanimidate.
What is the SMILES notation for methyl 2-(2,5-dichlorophenoxy)ethanimidate?
The canonical SMILES for methyl 2-(2,5-dichlorophenoxy)ethanimidate is [H]/N=C(/COc1cc(Cl)ccc1Cl)OC.
What is the InChIKey of methyl 2-(2,5-dichlorophenoxy)ethanimidate?
The InChIKey is HOYVBCZLECAFOY-XFXZXTDPSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-13-9(12)5-14-8-4-6(10)2-3-7(8)11/h2-4,12H,5H2,1H3/b12-9-.
What are the key properties of methyl 2-(2,5-dichlorophenoxy)ethanimidate?
methyl 2-(2,5-dichlorophenoxy)ethanimidate has a molecular weight of 234.08 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dichlorophenoxy)ethanimidate is sourced from PubChem (CID 82290476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).