phenyl-[3-[[4-(trifluoromethoxy)phenyl]methoxy]-1-benzothiophen-2-yl]methanone

C23H15F3O3S — CID 58835397

IUPACphenyl-[3-[[4-(trifluoromethoxy)phenyl]methoxy]-1-benzothiophen-2-yl]methanone
SMILESO=C(c1ccccc1)c1sc2ccccc2c1OCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H15F3O3S/c24-23(25,26)29-17-12-10-15(11-13-17)14-28-21-18-8-4-5-9-19(18)30-22(21)20(27)16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyRZZAFGSXRCUDHS-UHFFFAOYSA-N
MW428.43 g/mol
LogP6.61
Rot. Bonds6

About phenyl-[3-[[4-(trifluoromethoxy)phenyl]methoxy]-1-benzothiophen-2-yl]methanone

phenyl-[3-[[4-(trifluoromethoxy)phenyl]methoxy]-1-benzothiophen-2-yl]methanone (PubChem CID 58835397) has the molecular formula C23H15F3O3S and a molecular weight of 428.43 g/mol. Its IUPAC name is phenyl-[3-[[4-(trifluoromethoxy)phenyl]methoxy]-1-benzothiophen-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[3-[[4-(trifluoromethoxy)phenyl]methoxy]-1-benzothiophen-2-yl]methanone
PubChem CID58835397
Molecular FormulaC23H15F3O3S
Molecular Weight428.43 g/mol
Exact Mass428.07
IUPAC Namephenyl-[3-[[4-(trifluoromethoxy)phenyl]methoxy]-1-benzothiophen-2-yl]methanone
SMILESO=C(c1ccccc1)c1sc2ccccc2c1OCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H15F3O3S/c24-23(25,26)29-17-12-10-15(11-13-17)14-28-21-18-8-4-5-9-19(18)30-22(21)20(27)16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyRZZAFGSXRCUDHS-UHFFFAOYSA-N
XLogP6.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.43
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl-[3-[[4-(trifluoromethoxy)phenyl]methoxy]-1-benzothiophen-2-yl]methanone?
The IUPAC name of phenyl-[3-[[4-(trifluoromethoxy)phenyl]methoxy]-1-benzothiophen-2-yl]methanone (CID 58835397) is phenyl-[3-[[4-(trifluoromethoxy)phenyl]methoxy]-1-benzothiophen-2-yl]methanone.
What is the SMILES notation for phenyl-[3-[[4-(trifluoromethoxy)phenyl]methoxy]-1-benzothiophen-2-yl]methanone?
The canonical SMILES for phenyl-[3-[[4-(trifluoromethoxy)phenyl]methoxy]-1-benzothiophen-2-yl]methanone is O=C(c1ccccc1)c1sc2ccccc2c1OCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of phenyl-[3-[[4-(trifluoromethoxy)phenyl]methoxy]-1-benzothiophen-2-yl]methanone?
The InChIKey is RZZAFGSXRCUDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3O3S/c24-23(25,26)29-17-12-10-15(11-13-17)14-28-21-18-8-4-5-9-19(18)30-22(21)20(27)16-6-2-1-3-7-16/h1-13H,14H2.
What are the key properties of phenyl-[3-[[4-(trifluoromethoxy)phenyl]methoxy]-1-benzothiophen-2-yl]methanone?
phenyl-[3-[[4-(trifluoromethoxy)phenyl]methoxy]-1-benzothiophen-2-yl]methanone has a molecular weight of 428.43 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-[[4-(trifluoromethoxy)phenyl]methoxy]-1-benzothiophen-2-yl]methanone is sourced from PubChem (CID 58835397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).