[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate

C20H22O6 — CID 55317977

IUPAC[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
SMILESCCOc1ccc(C(=O)COC(=O)CCOc2ccccc2OC)cc1
InChIInChI=1S/C20H22O6/c1-3-24-16-10-8-15(9-11-16)17(21)14-26-20(22)12-13-25-19-7-5-4-6-18(19)23-2/h4-11H,3,12-14H2,1-2H3
InChIKeyCIMGWCGPVVWEJN-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.29
Rot. Bonds10

About [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate

[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate (PubChem CID 55317977) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
PubChem CID55317977
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
SMILESCCOc1ccc(C(=O)COC(=O)CCOc2ccccc2OC)cc1
InChIInChI=1S/C20H22O6/c1-3-24-16-10-8-15(9-11-16)17(21)14-26-20(22)12-13-25-19-7-5-4-6-18(19)23-2/h4-11H,3,12-14H2,1-2H3
InChIKeyCIMGWCGPVVWEJN-UHFFFAOYSA-N
XLogP3.29
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368789
1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
CID 43793632
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
CID 2429297
[2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 8023897
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate
CID 7760680
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856622
4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 24819647
(2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate
CID 35836444
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827628
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203723
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856618

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate?
The IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate (CID 55317977) is [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate.
What is the SMILES notation for [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate?
The canonical SMILES for [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate is CCOc1ccc(C(=O)COC(=O)CCOc2ccccc2OC)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate?
The InChIKey is CIMGWCGPVVWEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O6/c1-3-24-16-10-8-15(9-11-16)17(21)14-26-20(22)12-13-25-19-7-5-4-6-18(19)23-2/h4-11H,3,12-14H2,1-2H3.
What are the key properties of [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate?
[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate has a molecular weight of 358.39 g/mol, XLogP of 3.29, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate is sourced from PubChem (CID 55317977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).