1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene

C20H15F3O3 — CID 59726185

IUPAC1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
SMILESCOc1ccc(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C20H15F3O3/c1-24-16-6-2-14(3-7-16)15-4-8-17(9-5-15)25-18-10-12-19(13-11-18)26-20(21,22)23/h2-13H,1H3
InChIKeyLORWZOJEHCOJMU-UHFFFAOYSA-N
MW360.33 g/mol
LogP6.05
Rot. Bonds5

About 1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene

1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene (PubChem CID 59726185) has the molecular formula C20H15F3O3 and a molecular weight of 360.33 g/mol. Its IUPAC name is 1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
PubChem CID59726185
Molecular FormulaC20H15F3O3
Molecular Weight360.33 g/mol
Exact Mass360.10
IUPAC Name1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
SMILESCOc1ccc(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C20H15F3O3/c1-24-16-6-2-14(3-7-16)15-4-8-17(9-5-15)25-18-10-12-19(13-11-18)26-20(21,22)23/h2-13H,1H3
InChIKeyLORWZOJEHCOJMU-UHFFFAOYSA-N
XLogP6.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.33
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole
CID 3676782
1-(4-methoxyphenyl)-3-methylsulfanyl-5-(trifluoromethoxy)benzene
CID 171367745
1-tert-butyl-4-(4-tert-butylphenoxy)benzene;1-tert-butyl-4-(4-tert-butylphenyl)benzene;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenoxy]benzene;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]benzene;1-methoxy-4-(4-methoxyphenyl)benzene
CID 158471976
1-ethynyl-3-(4-methoxyphenyl)-5-(trifluoromethoxy)benzene
CID 175670464
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
6-methoxy-2-[4-(trifluoromethoxy)phenyl]-1-benzothiophene
CID 90343137
3-(4-tert-butylphenoxy)-5-[4-(trifluoromethoxy)phenyl]phenol
CID 58008384
formaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene
CID 144891551
2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene
CID 67122277
5-(4-methoxyphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 58915298
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene?
The IUPAC name of 1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene (CID 59726185) is 1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene.
What is the SMILES notation for 1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene?
The canonical SMILES for 1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene is COc1ccc(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene?
The InChIKey is LORWZOJEHCOJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3O3/c1-24-16-6-2-14(3-7-16)15-4-8-17(9-5-15)25-18-10-12-19(13-11-18)26-20(21,22)23/h2-13H,1H3.
What are the key properties of 1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene?
1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene has a molecular weight of 360.33 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene is sourced from PubChem (CID 59726185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).