[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate

C22H26O6 — CID 8701600

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)COc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C22H26O6/c1-22(2,3)17-8-6-7-9-20(17)27-14-21(24)28-13-18(23)16-12-15(25-4)10-11-19(16)26-5/h6-12H,13-14H2,1-5H3
InChIKeyLUEHWEDPPUGPKY-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.81
Rot. Bonds8

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate (PubChem CID 8701600) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
PubChem CID8701600
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)COc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C22H26O6/c1-22(2,3)17-8-6-7-9-20(17)27-14-21(24)28-13-18(23)16-12-15(25-4)10-11-19(16)26-5/h6-12H,13-14H2,1-5H3
InChIKeyLUEHWEDPPUGPKY-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7628495
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 23988457
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318517
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854085
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842228
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7628185
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 23964948
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate
CID 23988615
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2431484
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8700972
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2096449

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate (CID 8701600) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate is COc1ccc(OC)c(C(=O)COC(=O)COc2ccccc2C(C)(C)C)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
The InChIKey is LUEHWEDPPUGPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O6/c1-22(2,3)17-8-6-7-9-20(17)27-14-21(24)28-13-18(23)16-12-15(25-4)10-11-19(16)26-5/h6-12H,13-14H2,1-5H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate has a molecular weight of 386.44 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate is sourced from PubChem (CID 8701600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).