2-(2-chlorophenyl)-4-fluoro-6-methylsulfanylphenol

C13H10ClFOS — CID 59378217

IUPAC2-(2-chlorophenyl)-4-fluoro-6-methylsulfanylphenol
SMILESCSc1cc(F)cc(-c2ccccc2Cl)c1O
InChIInChI=1S/C13H10ClFOS/c1-17-12-7-8(15)6-10(13(12)16)9-4-2-3-5-11(9)14/h2-7,16H,1H3
InChIKeyZOLHJAQBGHACSG-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.57
Rot. Bonds2

About 2-(2-chlorophenyl)-4-fluoro-6-methylsulfanylphenol

2-(2-chlorophenyl)-4-fluoro-6-methylsulfanylphenol (PubChem CID 59378217) has the molecular formula C13H10ClFOS and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-fluoro-6-methylsulfanylphenol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-fluoro-6-methylsulfanylphenol
PubChem CID59378217
Molecular FormulaC13H10ClFOS
Molecular Weight268.74 g/mol
Exact Mass268.01
IUPAC Name2-(2-chlorophenyl)-4-fluoro-6-methylsulfanylphenol
SMILESCSc1cc(F)cc(-c2ccccc2Cl)c1O
InChIInChI=1S/C13H10ClFOS/c1-17-12-7-8(15)6-10(13(12)16)9-4-2-3-5-11(9)14/h2-7,16H,1H3
InChIKeyZOLHJAQBGHACSG-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chlorophenyl)sulfanyl-4-ethylphenol
CID 13838793
2',6'-Dichloro-5-fluoro-3-methylsulfanyl-biphenyl-2-ol
CID 59378215
1-(2-Chlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene
CID 59378216
2',6'-Dichloro-5-fluoro-2-methoxy-3-methylsulfanyl-biphenyl
CID 59378225
4-Fluoro-2-methylsulfanyl-6-[2-(trifluoromethyl)phenyl]phenol
CID 59378231
2-[2-Chloro-3-(methylsulfonyl)benzyl]-4-fluorophenol
CID 66734089
5-Chloro-4'-(ethylthio)-2'-(trifluoromethyl)-[1,1'-biphenyl]-2-ol
CID 67280036
2'-Chloro-4'-(ethylthio)-5-(trifluoromethyl)-[1,1'-biphenyl]-2-ol
CID 67281089
2-[5-Chloro-2-fluoro-4-(2-methylsulfanylphenyl)phenyl]phenol
CID 161223652
3-Fluoro-6-methylsulfanyl-2-propan-2-ylphenol
CID 164811561
5-Chloro-2-(m-tolylthio)phenol
CID 145864323
4-[(2-Chloro-6-fluorophenyl)methylsulfanyl]phenol
CID 51891790

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-fluoro-6-methylsulfanylphenol?
The IUPAC name of 2-(2-chlorophenyl)-4-fluoro-6-methylsulfanylphenol (CID 59378217) is 2-(2-chlorophenyl)-4-fluoro-6-methylsulfanylphenol.
What is the SMILES notation for 2-(2-chlorophenyl)-4-fluoro-6-methylsulfanylphenol?
The canonical SMILES for 2-(2-chlorophenyl)-4-fluoro-6-methylsulfanylphenol is CSc1cc(F)cc(-c2ccccc2Cl)c1O.
What is the InChIKey of 2-(2-chlorophenyl)-4-fluoro-6-methylsulfanylphenol?
The InChIKey is ZOLHJAQBGHACSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFOS/c1-17-12-7-8(15)6-10(13(12)16)9-4-2-3-5-11(9)14/h2-7,16H,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-fluoro-6-methylsulfanylphenol?
2-(2-chlorophenyl)-4-fluoro-6-methylsulfanylphenol has a molecular weight of 268.74 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-fluoro-6-methylsulfanylphenol is sourced from PubChem (CID 59378217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).