ethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate

C20H24O5 — CID 19886522

IUPACethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C(Cc1ccc(OC)cc1)Oc1ccccc1OCC
InChIInChI=1S/C20H24O5/c1-4-23-17-8-6-7-9-18(17)25-19(20(21)24-5-2)14-15-10-12-16(22-3)13-11-15/h6-13,19H,4-5,14H2,1-3H3
InChIKeyCJKONCWGKQFVJP-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.65
Rot. Bonds9

About ethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate

ethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate (PubChem CID 19886522) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate
PubChem CID19886522
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Nameethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C(Cc1ccc(OC)cc1)Oc1ccccc1OCC
InChIInChI=1S/C20H24O5/c1-4-23-17-8-6-7-9-18(17)25-19(20(21)24-5-2)14-15-10-12-16(22-3)13-11-15/h6-13,19H,4-5,14H2,1-3H3
InChIKeyCJKONCWGKQFVJP-UHFFFAOYSA-N
XLogP3.65
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate
CID 45101649
ethyl 2-bromo-3-(4-methoxyphenyl)propanoate
CID 4737532
ethyl (2S)-2-[4-(2-methoxyphenyl)phenoxy]-3-phenylpropanoate
CID 71545342
(2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221084
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137
ethyl 2-(4-tert-butylphenoxy)-3-(4-phenylmethoxyphenyl)propanoate
CID 18625918
2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 133241102
ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate
CID 18625711
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate
CID 18626029
(2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 100530459
methyl (2R)-2-(2-ethoxyphenoxy)-4-methylpentanoate
CID 114282388

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate?
The IUPAC name of ethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate (CID 19886522) is ethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate is CCOC(=O)C(Cc1ccc(OC)cc1)Oc1ccccc1OCC.
What is the InChIKey of ethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate?
The InChIKey is CJKONCWGKQFVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5/c1-4-23-17-8-6-7-9-18(17)25-19(20(21)24-5-2)14-15-10-12-16(22-3)13-11-15/h6-13,19H,4-5,14H2,1-3H3.
What are the key properties of ethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate?
ethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate has a molecular weight of 344.41 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 19886522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).