4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol

C19H13F3O3 — CID 21466174

IUPAC4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol
SMILESOc1ccc(Oc2cccc(Oc3ccccc3)c2)cc1C(F)(F)F
InChIInChI=1S/C19H13F3O3/c20-19(21,22)17-12-16(9-10-18(17)23)25-15-8-4-7-14(11-15)24-13-5-2-1-3-6-13/h1-12,23H
InChIKeyGAPZLFNNSOCAPD-UHFFFAOYSA-N
MW346.30 g/mol
LogP6.00
Rot. Bonds4

About 4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol

4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol (PubChem CID 21466174) has the molecular formula C19H13F3O3 and a molecular weight of 346.30 g/mol. Its IUPAC name is 4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol
PubChem CID21466174
Molecular FormulaC19H13F3O3
Molecular Weight346.30 g/mol
Exact Mass346.08
IUPAC Name4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol
SMILESOc1ccc(Oc2cccc(Oc3ccccc3)c2)cc1C(F)(F)F
InChIInChI=1S/C19H13F3O3/c20-19(21,22)17-12-16(9-10-18(17)23)25-15-8-4-7-14(11-15)24-13-5-2-1-3-6-13/h1-12,23H
InChIKeyGAPZLFNNSOCAPD-UHFFFAOYSA-N
XLogP6.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.30
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol
CID 21466577
2-methyl-4-phenoxyphenol
CID 23089676
ethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone
CID 144993710
2-iodo-4-phenoxyphenol
CID 10710201
2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol
CID 18178010
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
N-[4-phenoxy-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 166414376
2-[1-(1H-benzimidazol-2-yl)-2,2,2-trifluoro-1-hydroxyethyl]-4-phenoxyphenol
CID 4918421
4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol
CID 142817698
3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol
CID 54570273
4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline
CID 26189930
(4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 163987169

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol?
The IUPAC name of 4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol (CID 21466174) is 4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol is Oc1ccc(Oc2cccc(Oc3ccccc3)c2)cc1C(F)(F)F.
What is the InChIKey of 4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol?
The InChIKey is GAPZLFNNSOCAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3O3/c20-19(21,22)17-12-16(9-10-18(17)23)25-15-8-4-7-14(11-15)24-13-5-2-1-3-6-13/h1-12,23H.
What are the key properties of 4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol?
4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol has a molecular weight of 346.30 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol is sourced from PubChem (CID 21466174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).