3-[3-[3-(trifluoromethoxy)phenoxy]phenoxy]phenol

C19H13F3O4 — CID 54082270

IUPAC3-[3-[3-(trifluoromethoxy)phenoxy]phenoxy]phenol
SMILESOc1cccc(Oc2cccc(Oc3cccc(OC(F)(F)F)c3)c2)c1
InChIInChI=1S/C19H13F3O4/c20-19(21,22)26-18-9-3-8-17(12-18)25-16-7-2-6-15(11-16)24-14-5-1-4-13(23)10-14/h1-12,23H
InChIKeyMNYHYIBNCWWGID-UHFFFAOYSA-N
MW362.30 g/mol
LogP5.88
Rot. Bonds5

About 3-[3-[3-(trifluoromethoxy)phenoxy]phenoxy]phenol

3-[3-[3-(trifluoromethoxy)phenoxy]phenoxy]phenol (PubChem CID 54082270) has the molecular formula C19H13F3O4 and a molecular weight of 362.30 g/mol. Its IUPAC name is 3-[3-[3-(trifluoromethoxy)phenoxy]phenoxy]phenol.

Molecular Properties

Compound Name3-[3-[3-(trifluoromethoxy)phenoxy]phenoxy]phenol
PubChem CID54082270
Molecular FormulaC19H13F3O4
Molecular Weight362.30 g/mol
Exact Mass362.08
IUPAC Name3-[3-[3-(trifluoromethoxy)phenoxy]phenoxy]phenol
SMILESOc1cccc(Oc2cccc(Oc3cccc(OC(F)(F)F)c3)c2)c1
InChIInChI=1S/C19H13F3O4/c20-19(21,22)26-18-9-3-8-17(12-18)25-16-7-2-6-15(11-16)24-14-5-1-4-13(23)10-14/h1-12,23H
InChIKeyMNYHYIBNCWWGID-UHFFFAOYSA-N
XLogP5.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.30
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(trifluoromethoxy)phenoxy]phenoxy]phenol?
The IUPAC name of 3-[3-[3-(trifluoromethoxy)phenoxy]phenoxy]phenol (CID 54082270) is 3-[3-[3-(trifluoromethoxy)phenoxy]phenoxy]phenol.
What is the SMILES notation for 3-[3-[3-(trifluoromethoxy)phenoxy]phenoxy]phenol?
The canonical SMILES for 3-[3-[3-(trifluoromethoxy)phenoxy]phenoxy]phenol is Oc1cccc(Oc2cccc(Oc3cccc(OC(F)(F)F)c3)c2)c1.
What is the InChIKey of 3-[3-[3-(trifluoromethoxy)phenoxy]phenoxy]phenol?
The InChIKey is MNYHYIBNCWWGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3O4/c20-19(21,22)26-18-9-3-8-17(12-18)25-16-7-2-6-15(11-16)24-14-5-1-4-13(23)10-14/h1-12,23H.
What are the key properties of 3-[3-[3-(trifluoromethoxy)phenoxy]phenoxy]phenol?
3-[3-[3-(trifluoromethoxy)phenoxy]phenoxy]phenol has a molecular weight of 362.30 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(trifluoromethoxy)phenoxy]phenoxy]phenol is sourced from PubChem (CID 54082270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).