ethyl 2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate

C18H18F3NO4 — CID 20542494

IUPACethyl 2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)c(C)n2)cc1
InChIInChI=1S/C18H18F3NO4/c1-4-24-17(23)12(3)25-13-5-7-14(8-6-13)26-16-10-9-15(11(2)22-16)18(19,20)21/h5-10,12H,4H2,1-3H3
InChIKeyBBGMFCUAFSPWGE-UHFFFAOYSA-N
MW369.34 g/mol
LogP4.53
Rot. Bonds6

About ethyl 2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate

ethyl 2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate (PubChem CID 20542494) has the molecular formula C18H18F3NO4 and a molecular weight of 369.34 g/mol. Its IUPAC name is ethyl 2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
PubChem CID20542494
Molecular FormulaC18H18F3NO4
Molecular Weight369.34 g/mol
Exact Mass369.12
IUPAC Nameethyl 2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)c(C)n2)cc1
InChIInChI=1S/C18H18F3NO4/c1-4-24-17(23)12(3)25-13-5-7-14(8-6-13)26-16-10-9-15(11(2)22-16)18(19,20)21/h5-10,12H,4H2,1-3H3
InChIKeyBBGMFCUAFSPWGE-UHFFFAOYSA-N
XLogP4.53
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
The IUPAC name of ethyl 2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate (CID 20542494) is ethyl 2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
The canonical SMILES for ethyl 2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is CCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)c(C)n2)cc1.
What is the InChIKey of ethyl 2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
The InChIKey is BBGMFCUAFSPWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO4/c1-4-24-17(23)12(3)25-13-5-7-14(8-6-13)26-16-10-9-15(11(2)22-16)18(19,20)21/h5-10,12H,4H2,1-3H3.
What are the key properties of ethyl 2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
ethyl 2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate has a molecular weight of 369.34 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is sourced from PubChem (CID 20542494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).