1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene

C20H15F3O3 — CID 20738781

IUPAC1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene
SMILESFC(F)(F)Oc1cccc(Oc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C20H15F3O3/c21-20(22,23)26-19-11-5-10-18(13-19)25-17-9-4-8-16(12-17)24-14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyGYRCAVPGGHPJMM-UHFFFAOYSA-N
MW360.33 g/mol
LogP5.96
Rot. Bonds6

About 1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene

1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene (PubChem CID 20738781) has the molecular formula C20H15F3O3 and a molecular weight of 360.33 g/mol. Its IUPAC name is 1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene.

Molecular Properties

Compound Name1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene
PubChem CID20738781
Molecular FormulaC20H15F3O3
Molecular Weight360.33 g/mol
Exact Mass360.10
IUPAC Name1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene
SMILESFC(F)(F)Oc1cccc(Oc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C20H15F3O3/c21-20(22,23)26-19-11-5-10-18(13-19)25-17-9-4-8-16(12-17)24-14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyGYRCAVPGGHPJMM-UHFFFAOYSA-N
XLogP5.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.33
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene
CID 53216974
5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline
CID 172674848
4-(3-phenylmethoxyphenoxy)aniline
CID 89036367
1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 43324698
ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene
CID 143173489
1,1,1-trifluoro-5-(3-phenylmethoxyphenoxy)pentan-2-one
CID 25017856
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
CID 57238609
CID 57238609
1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene
CID 159571173

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene?
The IUPAC name of 1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene (CID 20738781) is 1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene.
What is the SMILES notation for 1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene?
The canonical SMILES for 1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene is FC(F)(F)Oc1cccc(Oc2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of 1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene?
The InChIKey is GYRCAVPGGHPJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3O3/c21-20(22,23)26-19-11-5-10-18(13-19)25-17-9-4-8-16(12-17)24-14-15-6-2-1-3-7-15/h1-13H,14H2.
What are the key properties of 1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene?
1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene has a molecular weight of 360.33 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene is sourced from PubChem (CID 20738781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).