ethyl 2-(2-fluorophenoxy)-2-phenylacetate

C16H15FO3 — CID 117059060

IUPACethyl 2-(2-fluorophenoxy)-2-phenylacetate
SMILESCCOC(=O)C(Oc1ccccc1F)c1ccccc1
InChIInChI=1S/C16H15FO3/c1-2-19-16(18)15(12-8-4-3-5-9-12)20-14-11-7-6-10-13(14)17/h3-11,15H,2H2,1H3
InChIKeyWHXAURNDBCCZCK-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.51
Rot. Bonds5

About ethyl 2-(2-fluorophenoxy)-2-phenylacetate

ethyl 2-(2-fluorophenoxy)-2-phenylacetate (PubChem CID 117059060) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is ethyl 2-(2-fluorophenoxy)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(2-fluorophenoxy)-2-phenylacetate
PubChem CID117059060
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Nameethyl 2-(2-fluorophenoxy)-2-phenylacetate
SMILESCCOC(=O)C(Oc1ccccc1F)c1ccccc1
InChIInChI=1S/C16H15FO3/c1-2-19-16(18)15(12-8-4-3-5-9-12)20-14-11-7-6-10-13(14)17/h3-11,15H,2H2,1H3
InChIKeyWHXAURNDBCCZCK-UHFFFAOYSA-N
XLogP3.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-formylphenoxy)-2-phenylacetate
CID 15741875
2-(2-fluorophenoxy)-2-phenylacetohydrazide
CID 63576514
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
ethyl 2-(4-methylphenoxy)-2-phenylacetate
CID 103601098
ethyl 2-[2-(1,2-dihydroxy-1-phenylethyl)phenoxy]-2-phenylacetate
CID 10834346
ethyl 2-iodooxy-2-phenylacetate
CID 70900074
ethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate
CID 106676827
(2S)-2-(2-fluorophenoxy)pentanoic acid
CID 40801009
ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate
CID 106676848
ethyl 2-(3-methoxyphenoxy)-2-phenylacetate
CID 117065644
(2-fluorophenyl) (2S)-2-acetyloxy-2-phenylacetate
CID 102577967
ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate
CID 122517611

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluorophenoxy)-2-phenylacetate?
The IUPAC name of ethyl 2-(2-fluorophenoxy)-2-phenylacetate (CID 117059060) is ethyl 2-(2-fluorophenoxy)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(2-fluorophenoxy)-2-phenylacetate?
The canonical SMILES for ethyl 2-(2-fluorophenoxy)-2-phenylacetate is CCOC(=O)C(Oc1ccccc1F)c1ccccc1.
What is the InChIKey of ethyl 2-(2-fluorophenoxy)-2-phenylacetate?
The InChIKey is WHXAURNDBCCZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-2-19-16(18)15(12-8-4-3-5-9-12)20-14-11-7-6-10-13(14)17/h3-11,15H,2H2,1H3.
What are the key properties of ethyl 2-(2-fluorophenoxy)-2-phenylacetate?
ethyl 2-(2-fluorophenoxy)-2-phenylacetate has a molecular weight of 274.29 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluorophenoxy)-2-phenylacetate is sourced from PubChem (CID 117059060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).