[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate

C21H24O6 — CID 7856465

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
SMILESCOc1ccc(C(=O)COC(=O)CCOc2cc(C)ccc2C)c(OC)c1
InChIInChI=1S/C21H24O6/c1-14-5-6-15(2)19(11-14)26-10-9-21(23)27-13-18(22)17-8-7-16(24-3)12-20(17)25-4/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyNBYWHCANXSDGOX-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.52
Rot. Bonds9

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate (PubChem CID 7856465) has the molecular formula C21H24O6 and a molecular weight of 372.42 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
PubChem CID7856465
Molecular FormulaC21H24O6
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
SMILESCOc1ccc(C(=O)COC(=O)CCOc2cc(C)ccc2C)c(OC)c1
InChIInChI=1S/C21H24O6/c1-14-5-6-15(2)19(11-14)26-10-9-21(23)27-13-18(22)17-8-7-16(24-3)12-20(17)25-4/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyNBYWHCANXSDGOX-UHFFFAOYSA-N
XLogP3.52
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate with MolForge

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Related Compounds

[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
CID 55317498
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(2,5-dimethylphenoxy)propanoate
CID 7856438
2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 107285015
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854085
2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide
CID 47014341
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-methylphenyl)benzoate
CID 23993413
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
CID 7856439
1-(2,4-dimethoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone
CID 31885361
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate
CID 2604638
N-(2,5-dimethoxyphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 2452955
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2096449
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 4316218

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate (CID 7856465) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate is COc1ccc(C(=O)COC(=O)CCOc2cc(C)ccc2C)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate?
The InChIKey is NBYWHCANXSDGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O6/c1-14-5-6-15(2)19(11-14)26-10-9-21(23)27-13-18(22)17-8-7-16(24-3)12-20(17)25-4/h5-8,11-12H,9-10,13H2,1-4H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate has a molecular weight of 372.42 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate is sourced from PubChem (CID 7856465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).