[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]acetate

C19H17F3O5 — CID 55459847

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]acetate
SMILESCOc1ccc(C(=O)COC(=O)Cc2ccc(C(F)(F)F)cc2)c(OC)c1
InChIInChI=1S/C19H17F3O5/c1-25-14-7-8-15(17(10-14)26-2)16(23)11-27-18(24)9-12-3-5-13(6-4-12)19(20,21)22/h3-8,10H,9,11H2,1-2H3
InChIKeyPXYJQDBGEIFQDV-UHFFFAOYSA-N
MW382.33 g/mol
LogP3.69
Rot. Bonds7

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]acetate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]acetate (PubChem CID 55459847) has the molecular formula C19H17F3O5 and a molecular weight of 382.33 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]acetate
PubChem CID55459847
Molecular FormulaC19H17F3O5
Molecular Weight382.33 g/mol
Exact Mass382.10
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]acetate
SMILESCOc1ccc(C(=O)COC(=O)Cc2ccc(C(F)(F)F)cc2)c(OC)c1
InChIInChI=1S/C19H17F3O5/c1-25-14-7-8-15(17(10-14)26-2)16(23)11-27-18(24)9-12-3-5-13(6-4-12)19(20,21)22/h3-8,10H,9,11H2,1-2H3
InChIKeyPXYJQDBGEIFQDV-UHFFFAOYSA-N
XLogP3.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl] 2,4-dimethoxybenzoate
CID 50929549
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667364
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 55312464
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854085
N-(2,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535021
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842228
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8914767
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate
CID 2463382
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 23964948
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2096449
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7879930
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272702

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]acetate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]acetate (CID 55459847) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]acetate is COc1ccc(C(=O)COC(=O)Cc2ccc(C(F)(F)F)cc2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]acetate?
The InChIKey is PXYJQDBGEIFQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3O5/c1-25-14-7-8-15(17(10-14)26-2)16(23)11-27-18(24)9-12-3-5-13(6-4-12)19(20,21)22/h3-8,10H,9,11H2,1-2H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]acetate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]acetate has a molecular weight of 382.33 g/mol, XLogP of 3.69, 7 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-[4-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 55459847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).