1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene

C20H15F3O — CID 91062970

IUPAC1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene
SMILESFC(F)(F)c1ccccc1OCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H15F3O/c21-20(22,23)18-11-4-5-12-19(18)24-14-15-7-6-10-17(13-15)16-8-2-1-3-9-16/h1-13H,14H2
InChIKeyUXNVQNDGDJNBKQ-UHFFFAOYSA-N
MW328.33 g/mol
LogP5.95
Rot. Bonds4

About 1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene

1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene (PubChem CID 91062970) has the molecular formula C20H15F3O and a molecular weight of 328.33 g/mol. Its IUPAC name is 1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene
PubChem CID91062970
Molecular FormulaC20H15F3O
Molecular Weight328.33 g/mol
Exact Mass328.11
IUPAC Name1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene
SMILESFC(F)(F)c1ccccc1OCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H15F3O/c21-20(22,23)18-11-4-5-12-19(18)24-14-15-7-6-10-17(13-15)16-8-2-1-3-9-16/h1-13H,14H2
InChIKeyUXNVQNDGDJNBKQ-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

Analyze 1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]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

ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400
[4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 63889622
2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 117220190
1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene
CID 86588170
4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene
CID 141169657
1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]benzene
CID 173255232
2-[5-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methoxy]naphthalen-1-yl]acetic acid
CID 25226322
2-[5-[[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]methoxy]naphthalen-1-yl]acetic acid
CID 25226692
1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene
CID 64765327
4-[(2-hydroxyphenoxy)methyl]-2-(trifluoromethyl)benzoic acid
CID 117220275
2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene
CID 54485852

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene?
The IUPAC name of 1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene (CID 91062970) is 1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene.
What is the SMILES notation for 1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene?
The canonical SMILES for 1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene is FC(F)(F)c1ccccc1OCc1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene?
The InChIKey is UXNVQNDGDJNBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3O/c21-20(22,23)18-11-4-5-12-19(18)24-14-15-7-6-10-17(13-15)16-8-2-1-3-9-16/h1-13H,14H2.
What are the key properties of 1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene?
1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]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-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene is sourced from PubChem (CID 91062970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).