2-[(4-fluorophenyl)methylsulfanyl]phenol

C13H11FOS — CID 19931725

IUPAC2-[(4-fluorophenyl)methylsulfanyl]phenol
SMILESOc1ccccc1SCc1ccc(F)cc1
InChIInChI=1S/C13H11FOS/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-8,15H,9H2
InChIKeyUGTFKTMHAQWJIU-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.82
Rot. Bonds3

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

2-[(4-fluorophenyl)methylsulfanyl]phenol (PubChem CID 19931725) has the molecular formula C13H11FOS and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]phenol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]phenol
PubChem CID19931725
Molecular FormulaC13H11FOS
Molecular Weight234.30 g/mol
Exact Mass234.05
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]phenol
SMILESOc1ccccc1SCc1ccc(F)cc1
InChIInChI=1S/C13H11FOS/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-8,15H,9H2
InChIKeyUGTFKTMHAQWJIU-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]phenol?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]phenol (CID 19931725) is 2-[(4-fluorophenyl)methylsulfanyl]phenol.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]phenol?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]phenol is Oc1ccccc1SCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]phenol?
The InChIKey is UGTFKTMHAQWJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FOS/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-8,15H,9H2.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]phenol?
2-[(4-fluorophenyl)methylsulfanyl]phenol has a molecular weight of 234.30 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]phenol is sourced from PubChem (CID 19931725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).