1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]benzene

C20H15F3O — CID 173255232

IUPAC1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]benzene
SMILESFC(F)(F)c1ccccc1COc1ccccc1-c1ccccc1
InChIInChI=1S/C20H15F3O/c21-20(22,23)18-12-6-4-10-16(18)14-24-19-13-7-5-11-17(19)15-8-2-1-3-9-15/h1-13H,14H2
InChIKeyZXRUSJPWKTVNLK-UHFFFAOYSA-N
MW328.33 g/mol
LogP5.95
Rot. Bonds4

About 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]benzene

1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]benzene (PubChem CID 173255232) has the molecular formula C20H15F3O and a molecular weight of 328.33 g/mol. Its IUPAC name is 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]benzene.

Molecular Properties

Compound Name1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]benzene
PubChem CID173255232
Molecular FormulaC20H15F3O
Molecular Weight328.33 g/mol
Exact Mass328.11
IUPAC Name1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]benzene
SMILESFC(F)(F)c1ccccc1COc1ccccc1-c1ccccc1
InChIInChI=1S/C20H15F3O/c21-20(22,23)18-12-6-4-10-16(18)14-24-19-13-7-5-11-17(19)15-8-2-1-3-9-15/h1-13H,14H2
InChIKeyZXRUSJPWKTVNLK-UHFFFAOYSA-N
XLogP5.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.33
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]benzene?
The IUPAC name of 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]benzene (CID 173255232) is 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]benzene.
What is the SMILES notation for 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]benzene?
The canonical SMILES for 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]benzene is FC(F)(F)c1ccccc1COc1ccccc1-c1ccccc1.
What is the InChIKey of 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]benzene?
The InChIKey is ZXRUSJPWKTVNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3O/c21-20(22,23)18-12-6-4-10-16(18)14-24-19-13-7-5-11-17(19)15-8-2-1-3-9-15/h1-13H,14H2.
What are the key properties of 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]benzene?
1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]benzene has a molecular weight of 328.33 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]benzene is sourced from PubChem (CID 173255232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).