3-ethyl-5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol

C18H20F3NO3 — CID 18504580

IUPAC3-ethyl-5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol
SMILESCCc1cc(O)cc(C)c1OCCCOc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H20F3NO3/c1-3-13-10-15(23)9-12(2)17(13)25-8-4-7-24-16-6-5-14(11-22-16)18(19,20)21/h5-6,9-11,23H,3-4,7-8H2,1-2H3
InChIKeyYTMRNUXCHREJMB-UHFFFAOYSA-N
MW355.36 g/mol
LogP4.52
Rot. Bonds7

About 3-ethyl-5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol

3-ethyl-5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol (PubChem CID 18504580) has the molecular formula C18H20F3NO3 and a molecular weight of 355.36 g/mol. Its IUPAC name is 3-ethyl-5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol.

Molecular Properties

Compound Name3-ethyl-5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol
PubChem CID18504580
Molecular FormulaC18H20F3NO3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC Name3-ethyl-5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol
SMILESCCc1cc(O)cc(C)c1OCCCOc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H20F3NO3/c1-3-13-10-15(23)9-12(2)17(13)25-8-4-7-24-16-6-5-14(11-22-16)18(19,20)21/h5-6,9-11,23H,3-4,7-8H2,1-2H3
InChIKeyYTMRNUXCHREJMB-UHFFFAOYSA-N
XLogP4.52
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol?
The IUPAC name of 3-ethyl-5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol (CID 18504580) is 3-ethyl-5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol.
What is the SMILES notation for 3-ethyl-5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol?
The canonical SMILES for 3-ethyl-5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol is CCc1cc(O)cc(C)c1OCCCOc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 3-ethyl-5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol?
The InChIKey is YTMRNUXCHREJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO3/c1-3-13-10-15(23)9-12(2)17(13)25-8-4-7-24-16-6-5-14(11-22-16)18(19,20)21/h5-6,9-11,23H,3-4,7-8H2,1-2H3.
What are the key properties of 3-ethyl-5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol?
3-ethyl-5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol has a molecular weight of 355.36 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol is sourced from PubChem (CID 18504580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).