2-(4-fluoro-3-methylphenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol

C22H20F2OS — CID 19094783

IUPAC2-(4-fluoro-3-methylphenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol
SMILESCc1cc(-c2cc(Sc3ccc(F)cc3)cc(C(C)C)c2O)ccc1F
InChIInChI=1S/C22H20F2OS/c1-13(2)19-11-18(26-17-7-5-16(23)6-8-17)12-20(22(19)25)15-4-9-21(24)14(3)10-15/h4-13,25H,1-3H3
InChIKeyFTHYZYPMTKILQM-UHFFFAOYSA-N
MW370.46 g/mol
LogP6.92
Rot. Bonds4

About 2-(4-fluoro-3-methylphenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol

2-(4-fluoro-3-methylphenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol (PubChem CID 19094783) has the molecular formula C22H20F2OS and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol
PubChem CID19094783
Molecular FormulaC22H20F2OS
Molecular Weight370.46 g/mol
Exact Mass370.12
IUPAC Name2-(4-fluoro-3-methylphenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol
SMILESCc1cc(-c2cc(Sc3ccc(F)cc3)cc(C(C)C)c2O)ccc1F
InChIInChI=1S/C22H20F2OS/c1-13(2)19-11-18(26-17-7-5-16(23)6-8-17)12-20(22(19)25)15-4-9-21(24)14(3)10-15/h4-13,25H,1-3H3
InChIKeyFTHYZYPMTKILQM-UHFFFAOYSA-N
XLogP6.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol (CID 19094783) is 2-(4-fluoro-3-methylphenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol is Cc1cc(-c2cc(Sc3ccc(F)cc3)cc(C(C)C)c2O)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol?
The InChIKey is FTHYZYPMTKILQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2OS/c1-13(2)19-11-18(26-17-7-5-16(23)6-8-17)12-20(22(19)25)15-4-9-21(24)14(3)10-15/h4-13,25H,1-3H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol?
2-(4-fluoro-3-methylphenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol has a molecular weight of 370.46 g/mol, XLogP of 6.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenol is sourced from PubChem (CID 19094783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).