1-[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]ethanone

C22H17F3O2 — CID 77461547

IUPAC1-[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]ethanone
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(C(C)=O)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H17F3O2/c1-14(26)21-19(16-6-4-3-5-7-16)12-17(13-20(21)22(23,24)25)15-8-10-18(27-2)11-9-15/h3-13H,1-2H3
InChIKeyURSWAFMFRUPZRU-UHFFFAOYSA-N
MW370.37 g/mol
LogP6.25
Rot. Bonds4

About 1-[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]ethanone

1-[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]ethanone (PubChem CID 77461547) has the molecular formula C22H17F3O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]ethanone
PubChem CID77461547
Molecular FormulaC22H17F3O2
Molecular Weight370.37 g/mol
Exact Mass370.12
IUPAC Name1-[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]ethanone
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(C(C)=O)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H17F3O2/c1-14(26)21-19(16-6-4-3-5-7-16)12-17(13-20(21)22(23,24)25)15-8-10-18(27-2)11-9-15/h3-13H,1-2H3
InChIKeyURSWAFMFRUPZRU-UHFFFAOYSA-N
XLogP6.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.37
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]ethanone (CID 77461547) is 1-[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]ethanone is COc1ccc(-c2cc(-c3ccccc3)c(C(C)=O)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]ethanone?
The InChIKey is URSWAFMFRUPZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3O2/c1-14(26)21-19(16-6-4-3-5-7-16)12-17(13-20(21)22(23,24)25)15-8-10-18(27-2)11-9-15/h3-13H,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]ethanone?
1-[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]ethanone has a molecular weight of 370.37 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 77461547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).