ethyl 2-iodooxy-2-phenylacetate

C10H11IO3 — CID 70900074

IUPACethyl 2-iodooxy-2-phenylacetate
SMILESCCOC(=O)C(OI)c1ccccc1
InChIInChI=1S/C10H11IO3/c1-2-13-10(12)9(14-11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyDPGIZDORUQBOAY-UHFFFAOYSA-N
MW306.10 g/mol
LogP2.66
Rot. Bonds4

About ethyl 2-iodooxy-2-phenylacetate

ethyl 2-iodooxy-2-phenylacetate (PubChem CID 70900074) has the molecular formula C10H11IO3 and a molecular weight of 306.10 g/mol. Its IUPAC name is ethyl 2-iodooxy-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-iodooxy-2-phenylacetate
PubChem CID70900074
Molecular FormulaC10H11IO3
Molecular Weight306.10 g/mol
Exact Mass305.98
IUPAC Nameethyl 2-iodooxy-2-phenylacetate
SMILESCCOC(=O)C(OI)c1ccccc1
InChIInChI=1S/C10H11IO3/c1-2-13-10(12)9(14-11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyDPGIZDORUQBOAY-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
ethyl 2-(4-methylphenoxy)-2-phenylacetate
CID 103601098
ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate
CID 122517611
ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate
CID 106676848
ethyl 2-heptoxy-2-phenylacetate
CID 106676796
ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate
CID 106676840
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate
CID 171986152
ethyl 2-(2-fluorophenoxy)-2-phenylacetate
CID 117059060
ethyl 2-amino-2-phenylacetate chloride
CID 3083657

Frequently Asked Questions

What is the IUPAC name of ethyl 2-iodooxy-2-phenylacetate?
The IUPAC name of ethyl 2-iodooxy-2-phenylacetate (CID 70900074) is ethyl 2-iodooxy-2-phenylacetate.
What is the SMILES notation for ethyl 2-iodooxy-2-phenylacetate?
The canonical SMILES for ethyl 2-iodooxy-2-phenylacetate is CCOC(=O)C(OI)c1ccccc1.
What is the InChIKey of ethyl 2-iodooxy-2-phenylacetate?
The InChIKey is DPGIZDORUQBOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO3/c1-2-13-10(12)9(14-11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3.
What are the key properties of ethyl 2-iodooxy-2-phenylacetate?
ethyl 2-iodooxy-2-phenylacetate has a molecular weight of 306.10 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-iodooxy-2-phenylacetate is sourced from PubChem (CID 70900074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).