ethyl 2-(3-methoxyphenoxy)-2-phenylacetate

C17H18O4 — CID 117065644

IUPACethyl 2-(3-methoxyphenoxy)-2-phenylacetate
SMILESCCOC(=O)C(Oc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C17H18O4/c1-3-20-17(18)16(13-8-5-4-6-9-13)21-15-11-7-10-14(12-15)19-2/h4-12,16H,3H2,1-2H3
InChIKeyIOHXDSYGHRCYON-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.38
Rot. Bonds6

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

ethyl 2-(3-methoxyphenoxy)-2-phenylacetate (PubChem CID 117065644) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 2-(3-methoxyphenoxy)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(3-methoxyphenoxy)-2-phenylacetate
PubChem CID117065644
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Nameethyl 2-(3-methoxyphenoxy)-2-phenylacetate
SMILESCCOC(=O)C(Oc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C17H18O4/c1-3-20-17(18)16(13-8-5-4-6-9-13)21-15-11-7-10-14(12-15)19-2/h4-12,16H,3H2,1-2H3
InChIKeyIOHXDSYGHRCYON-UHFFFAOYSA-N
XLogP3.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-cyanophenoxy)-2-phenylacetate
CID 103601165
ethyl 2-(4-methylphenoxy)-2-phenylacetate
CID 103601098
ethyl (2R)-2-diphenoxyphosphoryloxy-2-phenylacetate
CID 134943975
2-(3-ethoxyphenoxy)-2-phenylacetic acid
CID 62338438
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
ethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate
CID 106676827
ethyl 2-(3-methoxyphenyl)-3-oxooctanoate
CID 54216163
ethyl 3-acetyloxy-3-(3-methoxyphenyl)-2-phenylpropanoate
CID 139713811
anisole;ethyl 2-methylpropanoate
CID 177064087
ethyl 2-iodooxy-2-phenylacetate
CID 70900074
1-ethoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-one
CID 116751593
ethyl (2S)-2-(2-oxochromen-7-yl)oxy-2-phenylacetate
CID 2325657

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methoxyphenoxy)-2-phenylacetate?
The IUPAC name of ethyl 2-(3-methoxyphenoxy)-2-phenylacetate (CID 117065644) is ethyl 2-(3-methoxyphenoxy)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(3-methoxyphenoxy)-2-phenylacetate?
The canonical SMILES for ethyl 2-(3-methoxyphenoxy)-2-phenylacetate is CCOC(=O)C(Oc1cccc(OC)c1)c1ccccc1.
What is the InChIKey of ethyl 2-(3-methoxyphenoxy)-2-phenylacetate?
The InChIKey is IOHXDSYGHRCYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-3-20-17(18)16(13-8-5-4-6-9-13)21-15-11-7-10-14(12-15)19-2/h4-12,16H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-methoxyphenoxy)-2-phenylacetate?
ethyl 2-(3-methoxyphenoxy)-2-phenylacetate has a molecular weight of 286.33 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methoxyphenoxy)-2-phenylacetate is sourced from PubChem (CID 117065644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).