2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]benzoic acid

C20H14F3NO4 — CID 127051143

IUPAC2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H14F3NO4/c21-20(22,23)14-7-10-18(24-11-14)28-15-8-5-13(6-9-15)12-27-17-4-2-1-3-16(17)19(25)26/h1-11H,12H2,(H,25,26)
InChIKeyRWZAXLDTXXSVGR-UHFFFAOYSA-N
MW389.33 g/mol
LogP5.17
Rot. Bonds6

About 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]benzoic acid

2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]benzoic acid (PubChem CID 127051143) has the molecular formula C20H14F3NO4 and a molecular weight of 389.33 g/mol. Its IUPAC name is 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]benzoic acid.

Molecular Properties

Compound Name2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]benzoic acid
PubChem CID127051143
Molecular FormulaC20H14F3NO4
Molecular Weight389.33 g/mol
Exact Mass389.09
IUPAC Name2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H14F3NO4/c21-20(22,23)14-7-10-18(24-11-14)28-15-8-5-13(6-9-15)12-27-17-4-2-1-3-16(17)19(25)26/h1-11H,12H2,(H,25,26)
InChIKeyRWZAXLDTXXSVGR-UHFFFAOYSA-N
XLogP5.17
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.33
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]benzoic acid?
The IUPAC name of 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]benzoic acid (CID 127051143) is 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]benzoic acid.
What is the SMILES notation for 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]benzoic acid?
The canonical SMILES for 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]benzoic acid is O=C(O)c1ccccc1OCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]benzoic acid?
The InChIKey is RWZAXLDTXXSVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO4/c21-20(22,23)14-7-10-18(24-11-14)28-15-8-5-13(6-9-15)12-27-17-4-2-1-3-16(17)19(25)26/h1-11H,12H2,(H,25,26).
What are the key properties of 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]benzoic acid?
2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]benzoic acid has a molecular weight of 389.33 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]benzoic acid is sourced from PubChem (CID 127051143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).