ethyl 2-(3-cyanophenoxy)-2-phenylacetate

C17H15NO3 — CID 103601165

IUPACethyl 2-(3-cyanophenoxy)-2-phenylacetate
SMILESCCOC(=O)C(Oc1cccc(C#N)c1)c1ccccc1
InChIInChI=1S/C17H15NO3/c1-2-20-17(19)16(14-8-4-3-5-9-14)21-15-10-6-7-13(11-15)12-18/h3-11,16H,2H2,1H3
InChIKeyDLKFVRPFRXMNEE-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.24
Rot. Bonds5

About ethyl 2-(3-cyanophenoxy)-2-phenylacetate

ethyl 2-(3-cyanophenoxy)-2-phenylacetate (PubChem CID 103601165) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 2-(3-cyanophenoxy)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(3-cyanophenoxy)-2-phenylacetate
PubChem CID103601165
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Nameethyl 2-(3-cyanophenoxy)-2-phenylacetate
SMILESCCOC(=O)C(Oc1cccc(C#N)c1)c1ccccc1
InChIInChI=1S/C17H15NO3/c1-2-20-17(19)16(14-8-4-3-5-9-14)21-15-10-6-7-13(11-15)12-18/h3-11,16H,2H2,1H3
InChIKeyDLKFVRPFRXMNEE-UHFFFAOYSA-N
XLogP3.24
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-methoxyphenoxy)-2-phenylacetate
CID 117065644
ethyl 2-(4-methylphenoxy)-2-phenylacetate
CID 103601098
ethyl 2-amino-3-(3-cyanophenyl)-3-hydroxypropanoate
CID 66206752
(2R)-2-(3-cyanophenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 8537318
ethyl (2R)-2-diphenoxyphosphoryloxy-2-phenylacetate
CID 134943975
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
ethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate
CID 106676827
methyl 2-(3-cyanophenoxy)butanoate
CID 86007369
2-(3-ethoxyphenoxy)-2-phenylacetic acid
CID 62338438
ethyl 2-iodooxy-2-phenylacetate
CID 70900074
benzonitrile;ethyl acetate;hydrate
CID 174550045
ethyl (2R)-2-amino-3-(3-cyanophenyl)propanoate
CID 70081034

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyanophenoxy)-2-phenylacetate?
The IUPAC name of ethyl 2-(3-cyanophenoxy)-2-phenylacetate (CID 103601165) is ethyl 2-(3-cyanophenoxy)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(3-cyanophenoxy)-2-phenylacetate?
The canonical SMILES for ethyl 2-(3-cyanophenoxy)-2-phenylacetate is CCOC(=O)C(Oc1cccc(C#N)c1)c1ccccc1.
What is the InChIKey of ethyl 2-(3-cyanophenoxy)-2-phenylacetate?
The InChIKey is DLKFVRPFRXMNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-2-20-17(19)16(14-8-4-3-5-9-14)21-15-10-6-7-13(11-15)12-18/h3-11,16H,2H2,1H3.
What are the key properties of ethyl 2-(3-cyanophenoxy)-2-phenylacetate?
ethyl 2-(3-cyanophenoxy)-2-phenylacetate has a molecular weight of 281.31 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyanophenoxy)-2-phenylacetate is sourced from PubChem (CID 103601165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).