(2S)-1-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethylsulfanyl)ethanone

C16H13F3O2S — CID 162416268

IUPAC(2S)-1-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethylsulfanyl)ethanone
SMILESCOc1ccc(C(=O)[C@@H](SC(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C16H13F3O2S/c1-21-13-9-7-11(8-10-13)14(20)15(22-16(17,18)19)12-5-3-2-4-6-12/h2-10,15H,1H3/t15-/m0/s1
InChIKeyFKSYKDUCLZZSQY-HNNXBMFYSA-N
MW326.34 g/mol
LogP4.87
Rot. Bonds5

About (2S)-1-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethylsulfanyl)ethanone

(2S)-1-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethylsulfanyl)ethanone (PubChem CID 162416268) has the molecular formula C16H13F3O2S and a molecular weight of 326.34 g/mol. Its IUPAC name is (2S)-1-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethylsulfanyl)ethanone.

Molecular Properties

Compound Name(2S)-1-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethylsulfanyl)ethanone
PubChem CID162416268
Molecular FormulaC16H13F3O2S
Molecular Weight326.34 g/mol
Exact Mass326.06
IUPAC Name(2S)-1-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethylsulfanyl)ethanone
SMILESCOc1ccc(C(=O)[C@@H](SC(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C16H13F3O2S/c1-21-13-9-7-11(8-10-13)14(20)15(22-16(17,18)19)12-5-3-2-4-6-12/h2-10,15H,1H3/t15-/m0/s1
InChIKeyFKSYKDUCLZZSQY-HNNXBMFYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Avobenzone
CID 51040
4'-Methoxyacetophenone
CID 7476
4'-Methoxychalcone
CID 641818
1-(4-Methoxy-phenyl)-2-phenyl-ethane-1,2-dione
CID 31494
4,4'-Dimethoxybenzil
CID 71043
4-Methoxychalcone
CID 641819
Methoxyphenone
CID 38839
4-Methoxybenzophenone
CID 69146
4,4'-Dimethoxychalcone
CID 5377817
4-Propanoylanisole
CID 67144
1,3-Bis(4-methoxyphenyl)-1,3-propanedione
CID 87596
4-Acetylphenyl ether
CID 17471

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethylsulfanyl)ethanone?
The IUPAC name of (2S)-1-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethylsulfanyl)ethanone (CID 162416268) is (2S)-1-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethylsulfanyl)ethanone.
What is the SMILES notation for (2S)-1-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethylsulfanyl)ethanone?
The canonical SMILES for (2S)-1-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethylsulfanyl)ethanone is COc1ccc(C(=O)[C@@H](SC(F)(F)F)c2ccccc2)cc1.
What is the InChIKey of (2S)-1-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethylsulfanyl)ethanone?
The InChIKey is FKSYKDUCLZZSQY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H13F3O2S/c1-21-13-9-7-11(8-10-13)14(20)15(22-16(17,18)19)12-5-3-2-4-6-12/h2-10,15H,1H3/t15-/m0/s1.
What are the key properties of (2S)-1-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethylsulfanyl)ethanone?
(2S)-1-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethylsulfanyl)ethanone has a molecular weight of 326.34 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethylsulfanyl)ethanone is sourced from PubChem (CID 162416268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).