ethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate

C11H13NO4 — CID 15075008

IUPACethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate
SMILESCCOC(=O)/C(=N/O)c1ccccc1OC
InChIInChI=1S/C11H13NO4/c1-3-16-11(13)10(12-14)8-6-4-5-7-9(8)15-2/h4-7,14H,3H2,1-2H3/b12-10+
InChIKeyMJYGHWMIRYBJMJ-ZRDIBKRKSA-N
MW223.23 g/mol
LogP1.44
Rot. Bonds4

About ethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate

ethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate (PubChem CID 15075008) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is ethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate
PubChem CID15075008
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Nameethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate
SMILESCCOC(=O)/C(=N/O)c1ccccc1OC
InChIInChI=1S/C11H13NO4/c1-3-16-11(13)10(12-14)8-6-4-5-7-9(8)15-2/h4-7,14H,3H2,1-2H3/b12-10+
InChIKeyMJYGHWMIRYBJMJ-ZRDIBKRKSA-N
XLogP1.44
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[2-[2-ethoxy-1-(2-methoxyphenyl)-2-oxoethylidene]hydrazinyl]-3-oxopropanoate
CID 91602933
ethyl 3-[(2E)-2-[2-ethoxy-1-(2-methoxyphenyl)-2-oxoethylidene]hydrazinyl]-3-oxopropanoate
CID 87585582
ethyl (2Z)-2-hydroxyimino-2-phenylacetate
CID 15075005
ethyl 2,3-dimethoxy-3-(2-methoxyphenyl)prop-2-enoate
CID 142698387
ethyl (2Z)-2-hydroxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate
CID 25022566
ethyl (2S)-3-(2-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035566
ethyl (2E)-2-hydroxyimino-3-(2-methoxyanilino)-3-oxopropanoate
CID 6416707
ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate
CID 22560922
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
ethyl 2,2-difluoro-3-(2-methoxyphenyl)-3-oxopropanoate
CID 55071398
2-methoxybenzohydrazide
CID 24051
ethyl 2-(2-methoxyphenyl)imino-2-thiophen-2-ylacetate
CID 13255863

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate?
The IUPAC name of ethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate (CID 15075008) is ethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate.
What is the SMILES notation for ethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate?
The canonical SMILES for ethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate is CCOC(=O)/C(=N/O)c1ccccc1OC.
What is the InChIKey of ethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate?
The InChIKey is MJYGHWMIRYBJMJ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H13NO4/c1-3-16-11(13)10(12-14)8-6-4-5-7-9(8)15-2/h4-7,14H,3H2,1-2H3/b12-10+.
What are the key properties of ethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate?
ethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate has a molecular weight of 223.23 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 15075008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).