[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate

C22H26O6 — CID 8013626

IUPAC[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C22H26O6/c1-13-7-14(2)21(15(3)8-13)17(23)12-28-20(24)11-16-9-18(25-4)22(27-6)19(10-16)26-5/h7-10H,11-12H2,1-6H3
InChIKeyXENKDMPBZGUTSE-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.61
Rot. Bonds8

About [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate

[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 8013626) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID8013626
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C22H26O6/c1-13-7-14(2)21(15(3)8-13)17(23)12-28-20(24)11-16-9-18(25-4)22(27-6)19(10-16)26-5/h7-10H,11-12H2,1-6H3
InChIKeyXENKDMPBZGUTSE-UHFFFAOYSA-N
XLogP3.61
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-fluorophenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2355431
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 4528014
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013673
[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2365804
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2573383
2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 15502799
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2334921
[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 101165003
2-(3,4-dimethoxy-5-methylphenyl)acetic acid
CID 70527445
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 27312565
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013820
(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8778510

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate (CID 8013626) is [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate is COc1cc(CC(=O)OCC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC.
What is the InChIKey of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is XENKDMPBZGUTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O6/c1-13-7-14(2)21(15(3)8-13)17(23)12-28-20(24)11-16-9-18(25-4)22(27-6)19(10-16)26-5/h7-10H,11-12H2,1-6H3.
What are the key properties of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 386.44 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 8013626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).