2-fluoro-4-(4-methylphenyl)sulfanylphenol

C13H11FOS — CID 23543387

IUPAC2-fluoro-4-(4-methylphenyl)sulfanylphenol
SMILESCc1ccc(Sc2ccc(O)c(F)c2)cc1
InChIInChI=1S/C13H11FOS/c1-9-2-4-10(5-3-9)16-11-6-7-13(15)12(14)8-11/h2-8,15H,1H3
InChIKeyYSIGVPPFQZLKSE-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.99
Rot. Bonds2

About 2-fluoro-4-(4-methylphenyl)sulfanylphenol

2-fluoro-4-(4-methylphenyl)sulfanylphenol (PubChem CID 23543387) has the molecular formula C13H11FOS and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-fluoro-4-(4-methylphenyl)sulfanylphenol.

Molecular Properties

Compound Name2-fluoro-4-(4-methylphenyl)sulfanylphenol
PubChem CID23543387
Molecular FormulaC13H11FOS
Molecular Weight234.29 g/mol
Exact Mass234.05
IUPAC Name2-fluoro-4-(4-methylphenyl)sulfanylphenol
SMILESCc1ccc(Sc2ccc(O)c(F)c2)cc1
InChIInChI=1S/C13H11FOS/c1-9-2-4-10(5-3-9)16-11-6-7-13(15)12(14)8-11/h2-8,15H,1H3
InChIKeyYSIGVPPFQZLKSE-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methylphenyl)sulfanylphenol?
The IUPAC name of 2-fluoro-4-(4-methylphenyl)sulfanylphenol (CID 23543387) is 2-fluoro-4-(4-methylphenyl)sulfanylphenol.
What is the SMILES notation for 2-fluoro-4-(4-methylphenyl)sulfanylphenol?
The canonical SMILES for 2-fluoro-4-(4-methylphenyl)sulfanylphenol is Cc1ccc(Sc2ccc(O)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-(4-methylphenyl)sulfanylphenol?
The InChIKey is YSIGVPPFQZLKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FOS/c1-9-2-4-10(5-3-9)16-11-6-7-13(15)12(14)8-11/h2-8,15H,1H3.
What are the key properties of 2-fluoro-4-(4-methylphenyl)sulfanylphenol?
2-fluoro-4-(4-methylphenyl)sulfanylphenol has a molecular weight of 234.29 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methylphenyl)sulfanylphenol is sourced from PubChem (CID 23543387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).