2-(5-chloro-2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)phenol

C14H10ClF3O2S — CID 70808171

IUPAC2-(5-chloro-2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)phenol
SMILESCOc1ccc(Cl)cc1Sc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C14H10ClF3O2S/c1-20-11-5-3-9(15)7-13(11)21-12-6-8(14(16,17)18)2-4-10(12)19/h2-7,19H,1H3
InChIKeyQVRLIRXPEIXUJM-UHFFFAOYSA-N
MW334.75 g/mol
LogP5.22
Rot. Bonds3

About 2-(5-chloro-2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)phenol

2-(5-chloro-2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)phenol (PubChem CID 70808171) has the molecular formula C14H10ClF3O2S and a molecular weight of 334.75 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)phenol
PubChem CID70808171
Molecular FormulaC14H10ClF3O2S
Molecular Weight334.75 g/mol
Exact Mass334.00
IUPAC Name2-(5-chloro-2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)phenol
SMILESCOc1ccc(Cl)cc1Sc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C14H10ClF3O2S/c1-20-11-5-3-9(15)7-13(11)21-12-6-8(14(16,17)18)2-4-10(12)19/h2-7,19H,1H3
InChIKeyQVRLIRXPEIXUJM-UHFFFAOYSA-N
XLogP5.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.75
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)phenol 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-(5-chloro-2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)phenol?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)phenol (CID 70808171) is 2-(5-chloro-2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)phenol is COc1ccc(Cl)cc1Sc1cc(C(F)(F)F)ccc1O.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)phenol?
The InChIKey is QVRLIRXPEIXUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O2S/c1-20-11-5-3-9(15)7-13(11)21-12-6-8(14(16,17)18)2-4-10(12)19/h2-7,19H,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)phenol?
2-(5-chloro-2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)phenol has a molecular weight of 334.75 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)phenol is sourced from PubChem (CID 70808171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).