(4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone

C20H13F3O2 — CID 163987169

IUPAC(4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H13F3O2/c21-20(22,23)18-9-5-4-8-17(18)19(24)14-10-12-16(13-11-14)25-15-6-2-1-3-7-15/h1-13H
InChIKeyTXJBTOBZMVBCJF-UHFFFAOYSA-N
MW342.32 g/mol
LogP5.73
Rot. Bonds4

About (4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone

(4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 163987169) has the molecular formula C20H13F3O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is (4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID163987169
Molecular FormulaC20H13F3O2
Molecular Weight342.32 g/mol
Exact Mass342.09
IUPAC Name(4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H13F3O2/c21-20(22,23)18-9-5-4-8-17(18)19(24)14-10-12-16(13-11-14)25-15-6-2-1-3-7-15/h1-13H
InChIKeyTXJBTOBZMVBCJF-UHFFFAOYSA-N
XLogP5.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.32
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[2-(trifluoromethyl)benzoyl]phenyl] acetate
CID 24722930
4-phenoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 16651583
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-(4-fluorobenzoyl)phenyl] 2-(trifluoromethyl)benzoate
CID 7931113
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344485
(3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62801807
4-phenoxybenzoic acid;hydrochloride
CID 70385625
(3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 107976795
(2,4-difluorophenyl)-(4-phenoxyphenyl)methanone
CID 146007872

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone (CID 163987169) is (4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(Oc2ccccc2)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of (4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is TXJBTOBZMVBCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3O2/c21-20(22,23)18-9-5-4-8-17(18)19(24)14-10-12-16(13-11-14)25-15-6-2-1-3-7-15/h1-13H.
What are the key properties of (4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone?
(4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 342.32 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 163987169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).