ethyl 2-iodo-2-phenylacetate

C10H11IO2 — CID 13346227

IUPACethyl 2-iodo-2-phenylacetate
SMILESCCOC(=O)C(I)c1ccccc1
InChIInChI=1S/C10H11IO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyGFYUBPKXVMWINH-UHFFFAOYSA-N
MW290.10 g/mol
LogP2.73
Rot. Bonds3

About ethyl 2-iodo-2-phenylacetate

ethyl 2-iodo-2-phenylacetate (PubChem CID 13346227) has the molecular formula C10H11IO2 and a molecular weight of 290.10 g/mol. Its IUPAC name is ethyl 2-iodo-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-iodo-2-phenylacetate
PubChem CID13346227
Molecular FormulaC10H11IO2
Molecular Weight290.10 g/mol
Exact Mass289.98
IUPAC Nameethyl 2-iodo-2-phenylacetate
SMILESCCOC(=O)C(I)c1ccccc1
InChIInChI=1S/C10H11IO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyGFYUBPKXVMWINH-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-iodo-2-phenylacetate?
The IUPAC name of ethyl 2-iodo-2-phenylacetate (CID 13346227) is ethyl 2-iodo-2-phenylacetate.
What is the SMILES notation for ethyl 2-iodo-2-phenylacetate?
The canonical SMILES for ethyl 2-iodo-2-phenylacetate is CCOC(=O)C(I)c1ccccc1.
What is the InChIKey of ethyl 2-iodo-2-phenylacetate?
The InChIKey is GFYUBPKXVMWINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3.
What are the key properties of ethyl 2-iodo-2-phenylacetate?
ethyl 2-iodo-2-phenylacetate has a molecular weight of 290.10 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-iodo-2-phenylacetate is sourced from PubChem (CID 13346227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).