3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol

C19H13F3O4 — CID 54570273

IUPAC3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol
SMILESOc1cccc(Oc2cccc(Oc3ccc(OC(F)(F)F)cc3)c2)c1
InChIInChI=1S/C19H13F3O4/c20-19(21,22)26-15-9-7-14(8-10-15)24-17-5-2-6-18(12-17)25-16-4-1-3-13(23)11-16/h1-12,23H
InChIKeyZWTJHLPUMFXJJS-UHFFFAOYSA-N
MW362.30 g/mol
LogP5.88
Rot. Bonds5

About 3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol

3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol (PubChem CID 54570273) has the molecular formula C19H13F3O4 and a molecular weight of 362.30 g/mol. Its IUPAC name is 3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol.

Molecular Properties

Compound Name3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol
PubChem CID54570273
Molecular FormulaC19H13F3O4
Molecular Weight362.30 g/mol
Exact Mass362.08
IUPAC Name3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol
SMILESOc1cccc(Oc2cccc(Oc3ccc(OC(F)(F)F)cc3)c2)c1
InChIInChI=1S/C19H13F3O4/c20-19(21,22)26-15-9-7-14(8-10-15)24-17-5-2-6-18(12-17)25-16-4-1-3-13(23)11-16/h1-12,23H
InChIKeyZWTJHLPUMFXJJS-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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Related Compounds

ethane;3-(trifluoromethoxy)phenol
CID 143201974
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid
CID 10426260
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol
CID 153483727
3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol
CID 53221920
3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171245719
2-[4-(trifluoromethoxy)phenoxy]phenol
CID 19755907
3-(4-tert-butylphenoxy)-5-[4-(trifluoromethoxy)phenyl]phenol
CID 58008384
1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene
CID 20738781
1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
CID 69380346
4-(3-hydroxyphenoxy)-2-(trifluoromethyl)benzamide
CID 60869148

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol?
The IUPAC name of 3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol (CID 54570273) is 3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol.
What is the SMILES notation for 3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol?
The canonical SMILES for 3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol is Oc1cccc(Oc2cccc(Oc3ccc(OC(F)(F)F)cc3)c2)c1.
What is the InChIKey of 3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol?
The InChIKey is ZWTJHLPUMFXJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3O4/c20-19(21,22)26-15-9-7-14(8-10-15)24-17-5-2-6-18(12-17)25-16-4-1-3-13(23)11-16/h1-12,23H.
What are the key properties of 3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol?
3-[3-[4-(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-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol is sourced from PubChem (CID 54570273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).