2-(phenylmethoxymethyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxane

C20H21F3O2S — CID 118434341

IUPAC2-(phenylmethoxymethyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxane
SMILESFC(F)(F)c1cccc(SC2CCOC(COCc3ccccc3)C2)c1
InChIInChI=1S/C20H21F3O2S/c21-20(22,23)16-7-4-8-18(11-16)26-19-9-10-25-17(12-19)14-24-13-15-5-2-1-3-6-15/h1-8,11,17,19H,9-10,12-14H2
InChIKeyLVSNGZYOKWRGEV-UHFFFAOYSA-N
MW382.45 g/mol
LogP5.56
Rot. Bonds6

About 2-(phenylmethoxymethyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxane

2-(phenylmethoxymethyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxane (PubChem CID 118434341) has the molecular formula C20H21F3O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-(phenylmethoxymethyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxane.

Molecular Properties

Compound Name2-(phenylmethoxymethyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxane
PubChem CID118434341
Molecular FormulaC20H21F3O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Name2-(phenylmethoxymethyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxane
SMILESFC(F)(F)c1cccc(SC2CCOC(COCc3ccccc3)C2)c1
InChIInChI=1S/C20H21F3O2S/c21-20(22,23)16-7-4-8-18(11-16)26-19-9-10-25-17(12-19)14-24-13-15-5-2-1-3-6-15/h1-8,11,17,19H,9-10,12-14H2
InChIKeyLVSNGZYOKWRGEV-UHFFFAOYSA-N
XLogP5.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.45
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(phenylmethoxymethyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxymethyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxane?
The IUPAC name of 2-(phenylmethoxymethyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxane (CID 118434341) is 2-(phenylmethoxymethyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxane.
What is the SMILES notation for 2-(phenylmethoxymethyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxane?
The canonical SMILES for 2-(phenylmethoxymethyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxane is FC(F)(F)c1cccc(SC2CCOC(COCc3ccccc3)C2)c1.
What is the InChIKey of 2-(phenylmethoxymethyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxane?
The InChIKey is LVSNGZYOKWRGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3O2S/c21-20(22,23)16-7-4-8-18(11-16)26-19-9-10-25-17(12-19)14-24-13-15-5-2-1-3-6-15/h1-8,11,17,19H,9-10,12-14H2.
What are the key properties of 2-(phenylmethoxymethyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxane?
2-(phenylmethoxymethyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxane has a molecular weight of 382.45 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxymethyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxane is sourced from PubChem (CID 118434341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).