2-(2,6-dichlorophenyl)-4-fluoro-6-methylsulfanylphenol

C13H9Cl2FOS — CID 59378215

IUPAC2-(2,6-dichlorophenyl)-4-fluoro-6-methylsulfanylphenol
SMILESCSc1cc(F)cc(-c2c(Cl)cccc2Cl)c1O
InChIInChI=1S/C13H9Cl2FOS/c1-18-11-6-7(16)5-8(13(11)17)12-9(14)3-2-4-10(12)15/h2-6,17H,1H3
InChIKeyJCURWLBIBXPKDI-UHFFFAOYSA-N
MW303.19 g/mol
LogP5.23
Rot. Bonds2

About 2-(2,6-dichlorophenyl)-4-fluoro-6-methylsulfanylphenol

2-(2,6-dichlorophenyl)-4-fluoro-6-methylsulfanylphenol (PubChem CID 59378215) has the molecular formula C13H9Cl2FOS and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-4-fluoro-6-methylsulfanylphenol.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-4-fluoro-6-methylsulfanylphenol
PubChem CID59378215
Molecular FormulaC13H9Cl2FOS
Molecular Weight303.19 g/mol
Exact Mass301.97
IUPAC Name2-(2,6-dichlorophenyl)-4-fluoro-6-methylsulfanylphenol
SMILESCSc1cc(F)cc(-c2c(Cl)cccc2Cl)c1O
InChIInChI=1S/C13H9Cl2FOS/c1-18-11-6-7(16)5-8(13(11)17)12-9(14)3-2-4-10(12)15/h2-6,17H,1H3
InChIKeyJCURWLBIBXPKDI-UHFFFAOYSA-N
XLogP5.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.19
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Chlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene
CID 59378216
2-(2-Chlorophenyl)-4-fluoro-6-methylsulfanylphenol
CID 59378217
2',6'-Dichloro-5-fluoro-2-methoxy-3-methylsulfanyl-biphenyl
CID 59378225
2-[2-Chloro-3-(methylsulfonyl)benzyl]-4-fluorophenol
CID 66734089
2-(2,6-dichlorophenyl)-4-fluoro-6-[(Z)-prop-1-enyl]phenol
CID 69117483
2',6'-Dichloro-5-fluoro-3-(prop-1-enyl)-biphenyl-2-ol
CID 69117484
2-[5-Chloro-2-fluoro-4-(2-methylsulfanylphenyl)phenyl]phenol
CID 161223652
2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]phenol
CID 61999759
2-[(2-Chloro-4-fluorophenyl)methylsulfanyl]phenol
CID 62001295
2-[(2-Chloro-5-fluorophenyl)methylsulfanyl]phenol
CID 102604900
2-[(2-Chloro-3-fluorophenyl)methylsulfanyl]phenol
CID 112549857
2-(2,6-dichlorophenyl)-4-fluoro-6-[(E)-prop-1-enyl]phenol
CID 129394217

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-4-fluoro-6-methylsulfanylphenol?
The IUPAC name of 2-(2,6-dichlorophenyl)-4-fluoro-6-methylsulfanylphenol (CID 59378215) is 2-(2,6-dichlorophenyl)-4-fluoro-6-methylsulfanylphenol.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-4-fluoro-6-methylsulfanylphenol?
The canonical SMILES for 2-(2,6-dichlorophenyl)-4-fluoro-6-methylsulfanylphenol is CSc1cc(F)cc(-c2c(Cl)cccc2Cl)c1O.
What is the InChIKey of 2-(2,6-dichlorophenyl)-4-fluoro-6-methylsulfanylphenol?
The InChIKey is JCURWLBIBXPKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FOS/c1-18-11-6-7(16)5-8(13(11)17)12-9(14)3-2-4-10(12)15/h2-6,17H,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-4-fluoro-6-methylsulfanylphenol?
2-(2,6-dichlorophenyl)-4-fluoro-6-methylsulfanylphenol has a molecular weight of 303.19 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-4-fluoro-6-methylsulfanylphenol is sourced from PubChem (CID 59378215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).