methyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate

C16H15NO4 — CID 10803045

IUPACmethyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate
SMILESCO/N=C(/C(=O)OC)c1ccccc1Oc1ccccc1
InChIInChI=1S/C16H15NO4/c1-19-16(18)15(17-20-2)13-10-6-7-11-14(13)21-12-8-4-3-5-9-12/h3-11H,1-2H3/b17-15+
InChIKeyQQSRXHXWQITEIN-BMRADRMJSA-N
MW285.30 g/mol
LogP3.00
Rot. Bonds5

About methyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate

methyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate (PubChem CID 10803045) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate
PubChem CID10803045
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namemethyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate
SMILESCO/N=C(/C(=O)OC)c1ccccc1Oc1ccccc1
InChIInChI=1S/C16H15NO4/c1-19-16(18)15(17-20-2)13-10-6-7-11-14(13)21-12-8-4-3-5-9-12/h3-11H,1-2H3/b17-15+
InChIKeyQQSRXHXWQITEIN-BMRADRMJSA-N
XLogP3.00
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate?
The IUPAC name of methyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate (CID 10803045) is methyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate.
What is the SMILES notation for methyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate?
The canonical SMILES for methyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate is CO/N=C(/C(=O)OC)c1ccccc1Oc1ccccc1.
What is the InChIKey of methyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate?
The InChIKey is QQSRXHXWQITEIN-BMRADRMJSA-N. The full InChI is InChI=1S/C16H15NO4/c1-19-16(18)15(17-20-2)13-10-6-7-11-14(13)21-12-8-4-3-5-9-12/h3-11H,1-2H3/b17-15+.
What are the key properties of methyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate?
methyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate has a molecular weight of 285.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate is sourced from PubChem (CID 10803045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).