2-[(2-chloro-5-fluorophenyl)methylsulfanyl]phenol

C13H10ClFOS — CID 102604900

IUPAC2-[(2-chloro-5-fluorophenyl)methylsulfanyl]phenol
SMILESOc1ccccc1SCc1cc(F)ccc1Cl
InChIInChI=1S/C13H10ClFOS/c14-11-6-5-10(15)7-9(11)8-17-13-4-2-1-3-12(13)16/h1-7,16H,8H2
InChIKeyNGCXYIQDEWJPRJ-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.48
Rot. Bonds3

About 2-[(2-chloro-5-fluorophenyl)methylsulfanyl]phenol

2-[(2-chloro-5-fluorophenyl)methylsulfanyl]phenol (PubChem CID 102604900) has the molecular formula C13H10ClFOS and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methylsulfanyl]phenol.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methylsulfanyl]phenol
PubChem CID102604900
Molecular FormulaC13H10ClFOS
Molecular Weight268.74 g/mol
Exact Mass268.01
IUPAC Name2-[(2-chloro-5-fluorophenyl)methylsulfanyl]phenol
SMILESOc1ccccc1SCc1cc(F)ccc1Cl
InChIInChI=1S/C13H10ClFOS/c14-11-6-5-10(15)7-9(11)8-17-13-4-2-1-3-12(13)16/h1-7,16H,8H2
InChIKeyNGCXYIQDEWJPRJ-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methylsulfanyl]phenol?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methylsulfanyl]phenol (CID 102604900) is 2-[(2-chloro-5-fluorophenyl)methylsulfanyl]phenol.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methylsulfanyl]phenol?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methylsulfanyl]phenol is Oc1ccccc1SCc1cc(F)ccc1Cl.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methylsulfanyl]phenol?
The InChIKey is NGCXYIQDEWJPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFOS/c14-11-6-5-10(15)7-9(11)8-17-13-4-2-1-3-12(13)16/h1-7,16H,8H2.
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methylsulfanyl]phenol?
2-[(2-chloro-5-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 2-[(2-chloro-5-fluorophenyl)methylsulfanyl]phenol is sourced from PubChem (CID 102604900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).