[2-(2,5-diethylphenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate

C22H26O6 — CID 8013104

IUPAC[2-(2,5-diethylphenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate
SMILESCCc1ccc(CC)c(C(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C22H26O6/c1-6-14-8-9-15(7-2)17(10-14)18(23)13-28-22(24)16-11-19(25-3)21(27-5)20(12-16)26-4/h8-12H,6-7,13H2,1-5H3
InChIKeyWACZLWGOZCWSGR-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.88
Rot. Bonds9

About [2-(2,5-diethylphenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate

[2-(2,5-diethylphenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate (PubChem CID 8013104) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is [2-(2,5-diethylphenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[2-(2,5-diethylphenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate
PubChem CID8013104
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name[2-(2,5-diethylphenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate
SMILESCCc1ccc(CC)c(C(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C22H26O6/c1-6-14-8-9-15(7-2)17(10-14)18(23)13-28-22(24)16-11-19(25-3)21(27-5)20(12-16)26-4/h8-12H,6-7,13H2,1-5H3
InChIKeyWACZLWGOZCWSGR-UHFFFAOYSA-N
XLogP3.88
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,5-diethylphenyl)-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 7648041
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 2572005
[2-(2,5-diethylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42986055
[2-(2,5-diethylphenyl)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 31651791
(2-naphthalen-2-yl-2-oxoethyl) 3,4,5-trimethoxybenzoate
CID 40612973
[2-(ethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 2364022
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2,3-dimethoxybenzoate
CID 2358791
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-benzylbenzoate
CID 16528099
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2,5-dimethylbenzoate
CID 23732985
[2-(2,5-diethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 7864701
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681082
iodomethyl 3,4,5-trimethoxybenzoate
CID 19866330

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-diethylphenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate?
The IUPAC name of [2-(2,5-diethylphenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate (CID 8013104) is [2-(2,5-diethylphenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate.
What is the SMILES notation for [2-(2,5-diethylphenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate?
The canonical SMILES for [2-(2,5-diethylphenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate is CCc1ccc(CC)c(C(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of [2-(2,5-diethylphenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate?
The InChIKey is WACZLWGOZCWSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O6/c1-6-14-8-9-15(7-2)17(10-14)18(23)13-28-22(24)16-11-19(25-3)21(27-5)20(12-16)26-4/h8-12H,6-7,13H2,1-5H3.
What are the key properties of [2-(2,5-diethylphenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate?
[2-(2,5-diethylphenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate has a molecular weight of 386.44 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-diethylphenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate is sourced from PubChem (CID 8013104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).