4-[4-methoxy-3-(trifluoromethyl)phenyl]sulfanylphenol

C14H11F3O2S — CID 91879718

IUPAC4-[4-methoxy-3-(trifluoromethyl)phenyl]sulfanylphenol
SMILESCOc1ccc(Sc2ccc(O)cc2)cc1C(F)(F)F
InChIInChI=1S/C14H11F3O2S/c1-19-13-7-6-11(8-12(13)14(15,16)17)20-10-4-2-9(18)3-5-10/h2-8,18H,1H3
InChIKeyYOKPDDFDGIGRBC-UHFFFAOYSA-N
MW300.30 g/mol
LogP4.57
Rot. Bonds3

About 4-[4-methoxy-3-(trifluoromethyl)phenyl]sulfanylphenol

4-[4-methoxy-3-(trifluoromethyl)phenyl]sulfanylphenol (PubChem CID 91879718) has the molecular formula C14H11F3O2S and a molecular weight of 300.30 g/mol. Its IUPAC name is 4-[4-methoxy-3-(trifluoromethyl)phenyl]sulfanylphenol.

Molecular Properties

Compound Name4-[4-methoxy-3-(trifluoromethyl)phenyl]sulfanylphenol
PubChem CID91879718
Molecular FormulaC14H11F3O2S
Molecular Weight300.30 g/mol
Exact Mass300.04
IUPAC Name4-[4-methoxy-3-(trifluoromethyl)phenyl]sulfanylphenol
SMILESCOc1ccc(Sc2ccc(O)cc2)cc1C(F)(F)F
InChIInChI=1S/C14H11F3O2S/c1-19-13-7-6-11(8-12(13)14(15,16)17)20-10-4-2-9(18)3-5-10/h2-8,18H,1H3
InChIKeyYOKPDDFDGIGRBC-UHFFFAOYSA-N
XLogP4.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-methoxy-3-(trifluoromethyl)phenyl]sulfanylphenol 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 4-[4-methoxy-3-(trifluoromethyl)phenyl]sulfanylphenol?
The IUPAC name of 4-[4-methoxy-3-(trifluoromethyl)phenyl]sulfanylphenol (CID 91879718) is 4-[4-methoxy-3-(trifluoromethyl)phenyl]sulfanylphenol.
What is the SMILES notation for 4-[4-methoxy-3-(trifluoromethyl)phenyl]sulfanylphenol?
The canonical SMILES for 4-[4-methoxy-3-(trifluoromethyl)phenyl]sulfanylphenol is COc1ccc(Sc2ccc(O)cc2)cc1C(F)(F)F.
What is the InChIKey of 4-[4-methoxy-3-(trifluoromethyl)phenyl]sulfanylphenol?
The InChIKey is YOKPDDFDGIGRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2S/c1-19-13-7-6-11(8-12(13)14(15,16)17)20-10-4-2-9(18)3-5-10/h2-8,18H,1H3.
What are the key properties of 4-[4-methoxy-3-(trifluoromethyl)phenyl]sulfanylphenol?
4-[4-methoxy-3-(trifluoromethyl)phenyl]sulfanylphenol has a molecular weight of 300.30 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-3-(trifluoromethyl)phenyl]sulfanylphenol is sourced from PubChem (CID 91879718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).