2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene

C21H17F3O2 — CID 67122277

IUPAC2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene
SMILESCc1ccc(Oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c(C)c1
InChIInChI=1S/C21H17F3O2/c1-14-3-12-20(15(2)13-14)25-18-8-4-16(5-9-18)17-6-10-19(11-7-17)26-21(22,23)24/h3-13H,1-2H3
InChIKeyLDJVYFCSYMPQGP-UHFFFAOYSA-N
MW358.36 g/mol
LogP6.66
Rot. Bonds4

About 2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene

2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene (PubChem CID 67122277) has the molecular formula C21H17F3O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is 2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene.

Molecular Properties

Compound Name2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene
PubChem CID67122277
Molecular FormulaC21H17F3O2
Molecular Weight358.36 g/mol
Exact Mass358.12
IUPAC Name2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene
SMILESCc1ccc(Oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c(C)c1
InChIInChI=1S/C21H17F3O2/c1-14-3-12-20(15(2)13-14)25-18-8-4-16(5-9-18)17-6-10-19(11-7-17)26-21(22,23)24/h3-13H,1-2H3
InChIKeyLDJVYFCSYMPQGP-UHFFFAOYSA-N
XLogP6.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.36
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene
CID 91264614
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
CID 59726185
4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline
CID 26189911
2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine
CID 21364515
2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912467
ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene
CID 144678762
2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845597
1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine
CID 43189138
3-methyl-5-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 122475705
4-[4-[4-(2,4-dimethylphenoxy)phenyl]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[2-[4-(2,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 160671980

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene?
The IUPAC name of 2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene (CID 67122277) is 2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene.
What is the SMILES notation for 2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene?
The canonical SMILES for 2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene is Cc1ccc(Oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene?
The InChIKey is LDJVYFCSYMPQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3O2/c1-14-3-12-20(15(2)13-14)25-18-8-4-16(5-9-18)17-6-10-19(11-7-17)26-21(22,23)24/h3-13H,1-2H3.
What are the key properties of 2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene?
2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene has a molecular weight of 358.36 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene is sourced from PubChem (CID 67122277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).