4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenol

C13H10ClFOS — CID 51891790

IUPAC4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenol
SMILESOc1ccc(SCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C13H10ClFOS/c14-12-2-1-3-13(15)11(12)8-17-10-6-4-9(16)5-7-10/h1-7,16H,8H2
InChIKeyMJHMIHGSBOBLTE-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.48
Rot. Bonds3

About 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenol

4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenol (PubChem CID 51891790) has the molecular formula C13H10ClFOS and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenol
PubChem CID51891790
Molecular FormulaC13H10ClFOS
Molecular Weight268.74 g/mol
Exact Mass268.01
IUPAC Name4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenol
SMILESOc1ccc(SCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C13H10ClFOS/c14-12-2-1-3-13(15)11(12)8-17-10-6-4-9(16)5-7-10/h1-7,16H,8H2
InChIKeyMJHMIHGSBOBLTE-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-Chloro-4-(trifluoromethyl)phenyl]sulfanylphenol
CID 13094106
2-[(4-Fluorophenyl)methylsulfanyl]phenol
CID 19931725
4-(4-Trifluoromethylbenzylsulfanyl)phenol
CID 23089558
2-Fluoro-4-(4-methylphenyl)sulfanylphenol
CID 23543387
4-[(4-Fluorophenyl)methylsulfonyl]phenol
CID 47475472
4-[(4-Fluorophenyl)methylsulfanyl]phenol
CID 51891789
3-Chloro-4-(2,2,2-trifluoroethylsulfanylmethyl)phenol
CID 56634489
2-Benzylsulfanyl-4-fluorophenol
CID 57922296
2-(2-Chlorophenyl)-4-fluoro-6-methylsulfanylphenol
CID 59378217
4-[[(3-Fluorophenyl)methyl]thio]phenol
CID 61031715
2-Fluoro-4-[1-(4-hydroxyphenyl)sulfanylethyl]phenol
CID 68557961
2-Fluoro-4-[2-(4-hydroxyphenyl)sulfanylethyl]phenol
CID 68557968

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenol?
The IUPAC name of 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenol (CID 51891790) is 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenol.
What is the SMILES notation for 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenol?
The canonical SMILES for 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenol is Oc1ccc(SCc2c(F)cccc2Cl)cc1.
What is the InChIKey of 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenol?
The InChIKey is MJHMIHGSBOBLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFOS/c14-12-2-1-3-13(15)11(12)8-17-10-6-4-9(16)5-7-10/h1-7,16H,8H2.
What are the key properties of 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenol?
4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenol has a molecular weight of 268.74 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenol is sourced from PubChem (CID 51891790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).