[4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate

C₂₆H₂₆O₆ — CID 58090360

About [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate

[4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate (PubChem CID 58090360) has the molecular formula C₂₆H₂₆O₆ and a molecular weight of 434.49 g/mol. Its IUPAC name is [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate.

Molecular Properties

• Compound Name: [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate
• PubChem CID: 58090360
• Molecular Formula: C₂₆H₂₆O₆
• Molecular Weight: 434.49 g/mol
• Exact Mass: 434.17
• IUPAC Name: [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate
• SMILES: COCCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCOC)cc3)cc2)cc1
• InChI: InChI=1S/C26H26O6/c1-29-17-15-19-3-7-21(8-4-19)25(27)31-23-11-13-24(14-12-23)32-26(28)22-9-5-20(6-10-22)16-18-30-2/h3-14H,15-18H2,1-2H3
• InChIKey: ZIZXJZDXIVEJHG-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.49
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate?

The IUPAC name of [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate (CID 58090360) is [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate.

What is the SMILES notation for [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate?

The canonical SMILES for [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate is COCCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCOC)cc3)cc2)cc1.

What is the InChIKey of [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate?

The InChIKey is ZIZXJZDXIVEJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O6/c1-29-17-15-19-3-7-21(8-4-19)25(27)31-23-11-13-24(14-12-23)32-26(28)22-9-5-20(6-10-22)16-18-30-2/h3-14H,15-18H2,1-2H3.

What are the key properties of [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate?

[4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate has a molecular weight of 434.49 g/mol, XLogP of 4.50, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate is sourced from PubChem (CID 58090360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58090360 — identifiers, structure, computed properties (public domain)

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