[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate

C16H22O5 — CID 2463382

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate
SMILESCCC(CC)C(=O)OCC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C16H22O5/c1-5-11(6-2)16(18)21-10-14(17)13-8-7-12(19-3)9-15(13)20-4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyKPOFNASNFPLQSW-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.87
Rot. Bonds8

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate (PubChem CID 2463382) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate
PubChem CID2463382
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate
SMILESCCC(CC)C(=O)OCC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C16H22O5/c1-5-11(6-2)16(18)21-10-14(17)13-8-7-12(19-3)9-15(13)20-4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyKPOFNASNFPLQSW-UHFFFAOYSA-N
XLogP2.87
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate
CID 2360410
1-(2,4-dimethoxyphenyl)-2-ethylbutan-1-one
CID 114971207
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate
CID 2604638
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854085
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501210
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837451
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate
CID 7821040
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-methylphenyl)benzoate
CID 23993413
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2502361
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 4008524
4-O-[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2638962

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate (CID 2463382) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate is CCC(CC)C(=O)OCC(=O)c1ccc(OC)cc1OC.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate?
The InChIKey is KPOFNASNFPLQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-5-11(6-2)16(18)21-10-14(17)13-8-7-12(19-3)9-15(13)20-4/h7-9,11H,5-6,10H2,1-4H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate has a molecular weight of 294.35 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate is sourced from PubChem (CID 2463382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).