[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate

C21H24O6 — CID 55368789

IUPAC[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
SMILESCCOc1ccc(C(=O)COC(=O)CCc2cccc(OC)c2OC)cc1
InChIInChI=1S/C21H24O6/c1-4-26-17-11-8-15(9-12-17)18(22)14-27-20(23)13-10-16-6-5-7-19(24-2)21(16)25-3/h5-9,11-12H,4,10,13-14H2,1-3H3
InChIKeyITNJBTOLWXCGNR-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.46
Rot. Bonds10

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

[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate (PubChem CID 55368789) has the molecular formula C21H24O6 and a molecular weight of 372.42 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
PubChem CID55368789
Molecular FormulaC21H24O6
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
SMILESCCOc1ccc(C(=O)COC(=O)CCc2cccc(OC)c2OC)cc1
InChIInChI=1S/C21H24O6/c1-4-26-17-11-8-15(9-12-17)18(22)14-27-20(23)13-10-16-6-5-7-19(24-2)21(16)25-3/h5-9,11-12H,4,10,13-14H2,1-3H3
InChIKeyITNJBTOLWXCGNR-UHFFFAOYSA-N
XLogP3.46
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368657
[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
CID 55317977
2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55563336
[2-oxo-2-(pentylamino)ethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55404179
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368833
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731450
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368948
2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 66702130
ethyl 3-[2-methoxy-3-(trifluoromethoxy)phenyl]propanoate
CID 134632476
(6-chloro-3-pyridinyl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55546324
[2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 9455619
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871049

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate?
The IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate (CID 55368789) is [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate.
What is the SMILES notation for [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate?
The canonical SMILES for [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate is CCOc1ccc(C(=O)COC(=O)CCc2cccc(OC)c2OC)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate?
The InChIKey is ITNJBTOLWXCGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O6/c1-4-26-17-11-8-15(9-12-17)18(22)14-27-20(23)13-10-16-6-5-7-19(24-2)21(16)25-3/h5-9,11-12H,4,10,13-14H2,1-3H3.
What are the key properties of [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate?
[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate has a molecular weight of 372.42 g/mol, XLogP of 3.46, 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-(2,3-dimethoxyphenyl)propanoate is sourced from PubChem (CID 55368789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).