4-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)phenol

C14H11F3O2S — CID 21466467

IUPAC4-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)phenol
SMILESCOc1ccc(Sc2ccc(O)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H11F3O2S/c1-19-9-2-4-10(5-3-9)20-11-6-7-13(18)12(8-11)14(15,16)17/h2-8,18H,1H3
InChIKeyNFPBFZZDLGUPSX-UHFFFAOYSA-N
MW300.30 g/mol
LogP4.57
Rot. Bonds3

About 4-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)phenol

4-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)phenol (PubChem CID 21466467) has the molecular formula C14H11F3O2S and a molecular weight of 300.30 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)phenol
PubChem CID21466467
Molecular FormulaC14H11F3O2S
Molecular Weight300.30 g/mol
Exact Mass300.04
IUPAC Name4-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)phenol
SMILESCOc1ccc(Sc2ccc(O)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H11F3O2S/c1-19-9-2-4-10(5-3-9)20-11-6-7-13(18)12(8-11)14(15,16)17/h2-8,18H,1H3
InChIKeyNFPBFZZDLGUPSX-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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)phenol?
The IUPAC name of 4-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)phenol (CID 21466467) is 4-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)phenol is COc1ccc(Sc2ccc(O)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)phenol?
The InChIKey is NFPBFZZDLGUPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2S/c1-19-9-2-4-10(5-3-9)20-11-6-7-13(18)12(8-11)14(15,16)17/h2-8,18H,1H3.
What are the key properties of 4-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)phenol?
4-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)phenol 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-methoxyphenyl)sulfanyl-2-(trifluoromethyl)phenol is sourced from PubChem (CID 21466467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).