2-(3-ethoxyphenyl)acetyl chloride

C₁₀H₁₁ClO₂ — CID 22994163

About 2-(3-ethoxyphenyl)acetyl chloride

2-(3-ethoxyphenyl)acetyl chloride (PubChem CID 22994163) has the molecular formula C₁₀H₁₁ClO₂ and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)acetyl chloride.

Molecular Properties

• Compound Name: 2-(3-ethoxyphenyl)acetyl chloride
• PubChem CID: 22994163
• Molecular Formula: C₁₀H₁₁ClO₂
• Molecular Weight: 198.65 g/mol
• Exact Mass: 198.04
• IUPAC Name: 2-(3-ethoxyphenyl)acetyl chloride
• SMILES: CCOc1cccc(CC(=O)Cl)c1
• InChI: InChI=1S/C10H11ClO2/c1-2-13-9-5-3-4-8(6-9)7-10(11)12/h3-6H,2,7H2,1H3
• InChIKey: JUCCYFODYCTTRQ-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	198.65
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)acetyl chloride?

The IUPAC name of 2-(3-ethoxyphenyl)acetyl chloride (CID 22994163) is 2-(3-ethoxyphenyl)acetyl chloride.

What is the SMILES notation for 2-(3-ethoxyphenyl)acetyl chloride?

The canonical SMILES for 2-(3-ethoxyphenyl)acetyl chloride is CCOc1cccc(CC(=O)Cl)c1.

What is the InChIKey of 2-(3-ethoxyphenyl)acetyl chloride?

The InChIKey is JUCCYFODYCTTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-2-13-9-5-3-4-8(6-9)7-10(11)12/h3-6H,2,7H2,1H3.

What are the key properties of 2-(3-ethoxyphenyl)acetyl chloride?

2-(3-ethoxyphenyl)acetyl chloride has a molecular weight of 198.65 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-ethoxyphenyl)acetyl chloride is sourced from PubChem (CID 22994163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 22994163 — identifiers, structure, computed properties (public domain)

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