Ethyl 2-(4-formyl-2-methoxyphenoxy)acetate

C₁₂H₁₄O₅ — CID 968872

About Ethyl 2-(4-formyl-2-methoxyphenoxy)acetate

Ethyl 2-(4-formyl-2-methoxyphenoxy)acetate (PubChem CID 968872) has the molecular formula C₁₂H₁₄O₅ and a molecular weight of 238.24 g/mol. Its IUPAC name is ethyl 2-(4-formyl-2-methoxyphenoxy)acetate.

Molecular Properties

• Compound Name: Ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
• PubChem CID: 968872
• Molecular Formula: C₁₂H₁₄O₅
• Molecular Weight: 238.24 g/mol
• Exact Mass: 238.08
• IUPAC Name: ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
• SMILES: CCOC(=O)COc1ccc(C=O)cc1OC
• InChI: InChI=1S/C12H14O5/c1-3-16-12(14)8-17-10-5-4-9(7-13)6-11(10)15-2/h4-7H,3,8H2,1-2H3
• InChIKey: SVYWLZTVBMJCGG-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	238.24
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ethyl 2-(4-formyl-2-methoxyphenoxy)acetate?

The IUPAC name of Ethyl 2-(4-formyl-2-methoxyphenoxy)acetate (CID 968872) is ethyl 2-(4-formyl-2-methoxyphenoxy)acetate.

What is the SMILES notation for Ethyl 2-(4-formyl-2-methoxyphenoxy)acetate?

The canonical SMILES for Ethyl 2-(4-formyl-2-methoxyphenoxy)acetate is CCOC(=O)COc1ccc(C=O)cc1OC.

What is the InChIKey of Ethyl 2-(4-formyl-2-methoxyphenoxy)acetate?

The InChIKey is SVYWLZTVBMJCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-3-16-12(14)8-17-10-5-4-9(7-13)6-11(10)15-2/h4-7H,3,8H2,1-2H3.

What are the key properties of Ethyl 2-(4-formyl-2-methoxyphenoxy)acetate?

Ethyl 2-(4-formyl-2-methoxyphenoxy)acetate has a molecular weight of 238.24 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 2-(4-formyl-2-methoxyphenoxy)acetate is sourced from PubChem (CID 968872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 968872 — identifiers, structure, computed properties (public domain)

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