2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol

C21H18F2OS — CID 14663981

IUPAC2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol
SMILESCC(C)c1cc(Sc2ccc(F)cc2)cc(-c2ccc(F)cc2)c1O
InChIInChI=1S/C21H18F2OS/c1-13(2)19-11-18(25-17-9-7-16(23)8-10-17)12-20(21(19)24)14-3-5-15(22)6-4-14/h3-13,24H,1-2H3
InChIKeyTZHAPZSLCPMGFD-UHFFFAOYSA-N
MW356.44 g/mol
LogP6.61
Rot. Bonds4

About 2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol

2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol (PubChem CID 14663981) has the molecular formula C21H18F2OS and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol
PubChem CID14663981
Molecular FormulaC21H18F2OS
Molecular Weight356.44 g/mol
Exact Mass356.10
IUPAC Name2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol
SMILESCC(C)c1cc(Sc2ccc(F)cc2)cc(-c2ccc(F)cc2)c1O
InChIInChI=1S/C21H18F2OS/c1-13(2)19-11-18(25-17-9-7-16(23)8-10-17)12-20(21(19)24)14-3-5-15(22)6-4-14/h3-13,24H,1-2H3
InChIKeyTZHAPZSLCPMGFD-UHFFFAOYSA-N
XLogP6.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.44
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol?
The IUPAC name of 2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol (CID 14663981) is 2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol?
The canonical SMILES for 2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol is CC(C)c1cc(Sc2ccc(F)cc2)cc(-c2ccc(F)cc2)c1O.
What is the InChIKey of 2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol?
The InChIKey is TZHAPZSLCPMGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2OS/c1-13(2)19-11-18(25-17-9-7-16(23)8-10-17)12-20(21(19)24)14-3-5-15(22)6-4-14/h3-13,24H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol?
2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol has a molecular weight of 356.44 g/mol, XLogP of 6.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol is sourced from PubChem (CID 14663981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).