ethyl 3-[3-methoxy-5-(trifluoromethoxy)phenyl]propanoate

C13H15F3O4 — CID 134632610

IUPACethyl 3-[3-methoxy-5-(trifluoromethoxy)phenyl]propanoate
SMILESCCOC(=O)CCc1cc(OC)cc(OC(F)(F)F)c1
InChIInChI=1S/C13H15F3O4/c1-3-19-12(17)5-4-9-6-10(18-2)8-11(7-9)20-13(14,15)16/h6-8H,3-5H2,1-2H3
InChIKeyDXOYTMJZVHTCKZ-UHFFFAOYSA-N
MW292.25 g/mol
LogP3.09
Rot. Bonds6

About ethyl 3-[3-methoxy-5-(trifluoromethoxy)phenyl]propanoate

ethyl 3-[3-methoxy-5-(trifluoromethoxy)phenyl]propanoate (PubChem CID 134632610) has the molecular formula C13H15F3O4 and a molecular weight of 292.25 g/mol. Its IUPAC name is ethyl 3-[3-methoxy-5-(trifluoromethoxy)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-methoxy-5-(trifluoromethoxy)phenyl]propanoate
PubChem CID134632610
Molecular FormulaC13H15F3O4
Molecular Weight292.25 g/mol
Exact Mass292.09
IUPAC Nameethyl 3-[3-methoxy-5-(trifluoromethoxy)phenyl]propanoate
SMILESCCOC(=O)CCc1cc(OC)cc(OC(F)(F)F)c1
InChIInChI=1S/C13H15F3O4/c1-3-19-12(17)5-4-9-6-10(18-2)8-11(7-9)20-13(14,15)16/h6-8H,3-5H2,1-2H3
InChIKeyDXOYTMJZVHTCKZ-UHFFFAOYSA-N
XLogP3.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[3-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]propanoate
CID 134632502
ethyl 3-[3-chloro-5-(trifluoromethoxy)phenyl]propanoate
CID 134632586
ethyl 3-methoxy-5-(trifluoromethoxy)benzoate
CID 164894988
ethyl 5-(3,5-dimethoxyphenyl)pentanoate
CID 66889380
ethyl 3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanoate
CID 134632480
ethyl 4-[3-(trifluoromethoxy)phenyl]butanoate
CID 86728216
ethyl 3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoate
CID 122642075
ethyl 3-(3,5-difluorophenyl)propanoate
CID 15209345
ethyl 3-[2-bromo-5-(trifluoromethoxy)phenyl]propanoate
CID 134632420
ethyl 3-[4-chloro-3-(trifluoromethoxy)phenyl]propanoate
CID 134632674
ethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate
CID 134633121
ethyl 2-[3-(difluoromethyl)-5-(trifluoromethoxy)phenyl]acetate
CID 170998956

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-methoxy-5-(trifluoromethoxy)phenyl]propanoate?
The IUPAC name of ethyl 3-[3-methoxy-5-(trifluoromethoxy)phenyl]propanoate (CID 134632610) is ethyl 3-[3-methoxy-5-(trifluoromethoxy)phenyl]propanoate.
What is the SMILES notation for ethyl 3-[3-methoxy-5-(trifluoromethoxy)phenyl]propanoate?
The canonical SMILES for ethyl 3-[3-methoxy-5-(trifluoromethoxy)phenyl]propanoate is CCOC(=O)CCc1cc(OC)cc(OC(F)(F)F)c1.
What is the InChIKey of ethyl 3-[3-methoxy-5-(trifluoromethoxy)phenyl]propanoate?
The InChIKey is DXOYTMJZVHTCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O4/c1-3-19-12(17)5-4-9-6-10(18-2)8-11(7-9)20-13(14,15)16/h6-8H,3-5H2,1-2H3.
What are the key properties of ethyl 3-[3-methoxy-5-(trifluoromethoxy)phenyl]propanoate?
ethyl 3-[3-methoxy-5-(trifluoromethoxy)phenyl]propanoate has a molecular weight of 292.25 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-methoxy-5-(trifluoromethoxy)phenyl]propanoate is sourced from PubChem (CID 134632610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).