1-ethoxy-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzene

C23H21F3O2 — CID 18984085

IUPAC1-ethoxy-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzene
SMILESCCOc1ccc(CCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C23H21F3O2/c1-2-27-21-13-7-18(8-14-21)4-3-17-5-9-19(10-6-17)20-11-15-22(16-12-20)28-23(24,25)26/h5-16H,2-4H2,1H3
InChIKeyGAFXSPMPESVVCL-UHFFFAOYSA-N
MW386.41 g/mol
LogP6.44
Rot. Bonds7

About 1-ethoxy-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzene

1-ethoxy-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzene (PubChem CID 18984085) has the molecular formula C23H21F3O2 and a molecular weight of 386.41 g/mol. Its IUPAC name is 1-ethoxy-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzene
PubChem CID18984085
Molecular FormulaC23H21F3O2
Molecular Weight386.41 g/mol
Exact Mass386.15
IUPAC Name1-ethoxy-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzene
SMILESCCOc1ccc(CCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C23H21F3O2/c1-2-27-21-13-7-18(8-14-21)4-3-17-5-9-19(10-6-17)20-11-15-22(16-12-20)28-23(24,25)26/h5-16H,2-4H2,1H3
InChIKeyGAFXSPMPESVVCL-UHFFFAOYSA-N
XLogP6.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.41
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethoxy-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzene?
The IUPAC name of 1-ethoxy-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzene (CID 18984085) is 1-ethoxy-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzene?
The canonical SMILES for 1-ethoxy-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzene is CCOc1ccc(CCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of 1-ethoxy-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzene?
The InChIKey is GAFXSPMPESVVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3O2/c1-2-27-21-13-7-18(8-14-21)4-3-17-5-9-19(10-6-17)20-11-15-22(16-12-20)28-23(24,25)26/h5-16H,2-4H2,1H3.
What are the key properties of 1-ethoxy-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzene?
1-ethoxy-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzene has a molecular weight of 386.41 g/mol, XLogP of 6.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzene is sourced from PubChem (CID 18984085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).