ethyl 2-(ethoxymethyl)-3-methoxy-2-phenylpropanoate

C15H22O4 — CID 142276862

IUPACethyl 2-(ethoxymethyl)-3-methoxy-2-phenylpropanoate
SMILESCCOCC(COC)(C(=O)OCC)c1ccccc1
InChIInChI=1S/C15H22O4/c1-4-18-12-15(11-17-3,14(16)19-5-2)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3
InChIKeySXWOMYVCDKZGDC-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.17
Rot. Bonds8

About ethyl 2-(ethoxymethyl)-3-methoxy-2-phenylpropanoate

ethyl 2-(ethoxymethyl)-3-methoxy-2-phenylpropanoate (PubChem CID 142276862) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-(ethoxymethyl)-3-methoxy-2-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-(ethoxymethyl)-3-methoxy-2-phenylpropanoate
PubChem CID142276862
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Nameethyl 2-(ethoxymethyl)-3-methoxy-2-phenylpropanoate
SMILESCCOCC(COC)(C(=O)OCC)c1ccccc1
InChIInChI=1S/C15H22O4/c1-4-18-12-15(11-17-3,14(16)19-5-2)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3
InChIKeySXWOMYVCDKZGDC-UHFFFAOYSA-N
XLogP2.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate
CID 106489257
3-ethoxycarbonyl-3-phenylpentanoic acid
CID 175261723
ethyl 2-(aminomethyl)-2-phenyl-3-(2,2,2-trifluoroethoxy)propanoate
CID 106706864
diethyl 2-iodo-2-phenylpropanedioate
CID 168868817
ethyl 2-hydroxy-2-methoxy-2-phenylacetate
CID 163409597
ethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate
CID 106509563
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
diethyl 2-(hydroxymethyl)-2-phenylpropanedioate
CID 22236963
3-ethoxy-2-methyl-2-phenylpropanoic acid
CID 174890846
ethyl 2-(aminomethyl)-6,6,6-trifluoro-2-phenylhexanoate
CID 106509552
3-ethoxy-2-(ethoxymethyl)-2-(2-methylphenyl)-3-oxopropanoic acid
CID 103985457
(2-ethoxy-1,1-diphenylethyl)benzene
CID 58693364

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethoxymethyl)-3-methoxy-2-phenylpropanoate?
The IUPAC name of ethyl 2-(ethoxymethyl)-3-methoxy-2-phenylpropanoate (CID 142276862) is ethyl 2-(ethoxymethyl)-3-methoxy-2-phenylpropanoate.
What is the SMILES notation for ethyl 2-(ethoxymethyl)-3-methoxy-2-phenylpropanoate?
The canonical SMILES for ethyl 2-(ethoxymethyl)-3-methoxy-2-phenylpropanoate is CCOCC(COC)(C(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl 2-(ethoxymethyl)-3-methoxy-2-phenylpropanoate?
The InChIKey is SXWOMYVCDKZGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-18-12-15(11-17-3,14(16)19-5-2)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3.
What are the key properties of ethyl 2-(ethoxymethyl)-3-methoxy-2-phenylpropanoate?
ethyl 2-(ethoxymethyl)-3-methoxy-2-phenylpropanoate has a molecular weight of 266.34 g/mol, XLogP of 2.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethoxymethyl)-3-methoxy-2-phenylpropanoate is sourced from PubChem (CID 142276862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).