ethyl (2Z)-2-methoxyimino-2-(2-methylphenyl)acetate

C12H15NO3 — CID 86754570

IUPACethyl (2Z)-2-methoxyimino-2-(2-methylphenyl)acetate
SMILESCCOC(=O)/C(=N\OC)c1ccccc1C
InChIInChI=1S/C12H15NO3/c1-4-16-12(14)11(13-15-3)10-8-6-5-7-9(10)2/h5-8H,4H2,1-3H3/b13-11-
InChIKeyIOBZUMZQIYOGJM-QBFSEMIESA-N
MW221.26 g/mol
LogP1.91
Rot. Bonds4

About ethyl (2Z)-2-methoxyimino-2-(2-methylphenyl)acetate

ethyl (2Z)-2-methoxyimino-2-(2-methylphenyl)acetate (PubChem CID 86754570) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl (2Z)-2-methoxyimino-2-(2-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-methoxyimino-2-(2-methylphenyl)acetate
PubChem CID86754570
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl (2Z)-2-methoxyimino-2-(2-methylphenyl)acetate
SMILESCCOC(=O)/C(=N\OC)c1ccccc1C
InChIInChI=1S/C12H15NO3/c1-4-16-12(14)11(13-15-3)10-8-6-5-7-9(10)2/h5-8H,4H2,1-3H3/b13-11-
InChIKeyIOBZUMZQIYOGJM-QBFSEMIESA-N
XLogP1.91
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Ethyl o-tolylacetate
CID 96528
Ethyl (3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)(hydroxyimino)acetate
CID 135401464
(Z)-ethyl 4-(hydroxyimino)-3-phenylpentanoate
CID 5914219
(2Z)-2-hydroxyimino-3-(2-methylphenyl)propanoic acid
CID 127047494
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 (alphaE)-2-(chloromethyl)-alpha-(methoxyimino)benzeneacetate
CID 11806789
methyl (2E)-2-methoxyimino-2-[2-[4-[2-(trifluoromethyl)phenyl]buta-1,3-diynyl]phenyl]acetate
CID 10691467
methyl (2Z)-2-methoxyimino-2-[2-[4-[2-(trifluoromethyl)phenyl]buta-1,3-diynyl]phenyl]acetate
CID 10762649
methyl (2E)-2-methoxyimino-2-[2-[(E)-4-[2-(trifluoromethyl)phenyl]but-1-en-3-ynyl]phenyl]acetate
CID 44368805
methyl (2E)-2-methoxyimino-2-[2-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetate
CID 44368959
methyl (2Z)-2-hydroxyimino-2-[3-[(Z)-N-hydroxy-C-methoxycarbonylcarbonimidoyl]phenyl]acetate
CID 44446348

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-methoxyimino-2-(2-methylphenyl)acetate?
The IUPAC name of ethyl (2Z)-2-methoxyimino-2-(2-methylphenyl)acetate (CID 86754570) is ethyl (2Z)-2-methoxyimino-2-(2-methylphenyl)acetate.
What is the SMILES notation for ethyl (2Z)-2-methoxyimino-2-(2-methylphenyl)acetate?
The canonical SMILES for ethyl (2Z)-2-methoxyimino-2-(2-methylphenyl)acetate is CCOC(=O)/C(=N\OC)c1ccccc1C.
What is the InChIKey of ethyl (2Z)-2-methoxyimino-2-(2-methylphenyl)acetate?
The InChIKey is IOBZUMZQIYOGJM-QBFSEMIESA-N. The full InChI is InChI=1S/C12H15NO3/c1-4-16-12(14)11(13-15-3)10-8-6-5-7-9(10)2/h5-8H,4H2,1-3H3/b13-11-.
What are the key properties of ethyl (2Z)-2-methoxyimino-2-(2-methylphenyl)acetate?
ethyl (2Z)-2-methoxyimino-2-(2-methylphenyl)acetate has a molecular weight of 221.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-methoxyimino-2-(2-methylphenyl)acetate is sourced from PubChem (CID 86754570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).