[2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate

C24H20O6 — CID 8925475

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
SMILESCOc1ccccc1C(=O)COC(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H20O6/c1-28-22-10-6-5-9-20(22)21(25)15-30-23(26)16-29-19-13-11-18(12-14-19)24(27)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3
InChIKeyCUHAEOHMZOFJNR-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.73
Rot. Bonds9

About [2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate

[2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate (PubChem CID 8925475) has the molecular formula C24H20O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
PubChem CID8925475
Molecular FormulaC24H20O6
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
SMILESCOc1ccccc1C(=O)COC(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H20O6/c1-28-22-10-6-5-9-20(22)21(25)15-30-23(26)16-29-19-13-11-18(12-14-19)24(27)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3
InChIKeyCUHAEOHMZOFJNR-UHFFFAOYSA-N
XLogP3.73
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxyphenyl)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate
CID 23988615
[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925584
[2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate
CID 7839590
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854085
2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone
CID 60625457
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644
(4-benzoylphenyl) 2-methoxybenzoate
CID 1234638
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7628495
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
2-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone
CID 7717893
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2096449
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 23988457

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate (CID 8925475) is [2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate is COc1ccccc1C(=O)COC(=O)COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate?
The InChIKey is CUHAEOHMZOFJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O6/c1-28-22-10-6-5-9-20(22)21(25)15-30-23(26)16-29-19-13-11-18(12-14-19)24(27)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate?
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate has a molecular weight of 404.42 g/mol, XLogP of 3.73, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate is sourced from PubChem (CID 8925475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).