methyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate

C11H12ClNO3 — CID 11806789

IUPACmethyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate
SMILESCO/N=C(/C(=O)OC)c1ccccc1CCl
InChIInChI=1S/C11H12ClNO3/c1-15-11(14)10(13-16-2)9-6-4-3-5-8(9)7-12/h3-6H,7H2,1-2H3/b13-10+
InChIKeyGMZGDMPLWXWBQJ-JLHYYAGUSA-N
MW241.67 g/mol
LogP1.95
Rot. Bonds4

About methyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate

methyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate (PubChem CID 11806789) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is methyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate.

Molecular Properties

Compound Namemethyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate
PubChem CID11806789
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Namemethyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate
SMILESCO/N=C(/C(=O)OC)c1ccccc1CCl
InChIInChI=1S/C11H12ClNO3/c1-15-11(14)10(13-16-2)9-6-4-3-5-8(9)7-12/h3-6H,7H2,1-2H3/b13-10+
InChIKeyGMZGDMPLWXWBQJ-JLHYYAGUSA-N
XLogP1.95
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2E)-2-methoxyimino-2-[2-[(1E,3E)-4-[2-(trifluoromethyl)phenyl]buta-1,3-dienyl]phenyl]acetate
CID 44368851
Benzeneacetic acid, alpha-diazo-, methyl ester
CID 53436974
Methyl 2-[2-(chloromethyl)phenyl]acetate
CID 9855748
Methyl 2-methoxyimino-2-phenylacetate
CID 577152
Methoxyimino-phenylacetic acid, methyl ester
CID 9602710
alpha-Methoxyiminophenylacetic acid
CID 53932705
Methyl-(E)-2-(2-tolyl)-2-methoxyiminoacetate
CID 14329206
ethyl (2Z)-2-(4-fluorophenyl)-2-methoxyiminoacetate
CID 56601405
methyl (2E)-2-hydroxyimino-2-phenylacetate
CID 9614877
(2E)-2-methoxyimino-2-phenylacetic acid
CID 10877710
(E)-Methyl 2-(methoxyimino)-2-[2-(bromomethyl)phenyl]acetate
CID 10989774
(E)-Ethyl 2-[2-(bromomethyl)phenyl]-2-(methoxyimino)acetate
CID 10990226

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate?
The IUPAC name of methyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate (CID 11806789) is methyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate.
What is the SMILES notation for methyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate?
The canonical SMILES for methyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate is CO/N=C(/C(=O)OC)c1ccccc1CCl.
What is the InChIKey of methyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate?
The InChIKey is GMZGDMPLWXWBQJ-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-15-11(14)10(13-16-2)9-6-4-3-5-8(9)7-12/h3-6H,7H2,1-2H3/b13-10+.
What are the key properties of methyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate?
methyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate has a molecular weight of 241.67 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate is sourced from PubChem (CID 11806789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).