4-[(3-fluorophenyl)methylsulfanyl]phenol

C13H11FOS — CID 61031715

IUPAC4-[(3-fluorophenyl)methylsulfanyl]phenol
SMILESOc1ccc(SCc2cccc(F)c2)cc1
InChIInChI=1S/C13H11FOS/c14-11-3-1-2-10(8-11)9-16-13-6-4-12(15)5-7-13/h1-8,15H,9H2
InChIKeyVCPKWKIFXHMYDU-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.82
Rot. Bonds3

About 4-[(3-fluorophenyl)methylsulfanyl]phenol

4-[(3-fluorophenyl)methylsulfanyl]phenol (PubChem CID 61031715) has the molecular formula C13H11FOS and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methylsulfanyl]phenol
PubChem CID61031715
Molecular FormulaC13H11FOS
Molecular Weight234.30 g/mol
Exact Mass234.05
IUPAC Name4-[(3-fluorophenyl)methylsulfanyl]phenol
SMILESOc1ccc(SCc2cccc(F)c2)cc1
InChIInChI=1S/C13H11FOS/c14-11-3-1-2-10(8-11)9-16-13-6-4-12(15)5-7-13/h1-8,15H,9H2
InChIKeyVCPKWKIFXHMYDU-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 4-[(3-fluorophenyl)methylsulfanyl]phenol?
The IUPAC name of 4-[(3-fluorophenyl)methylsulfanyl]phenol (CID 61031715) is 4-[(3-fluorophenyl)methylsulfanyl]phenol.
What is the SMILES notation for 4-[(3-fluorophenyl)methylsulfanyl]phenol?
The canonical SMILES for 4-[(3-fluorophenyl)methylsulfanyl]phenol is Oc1ccc(SCc2cccc(F)c2)cc1.
What is the InChIKey of 4-[(3-fluorophenyl)methylsulfanyl]phenol?
The InChIKey is VCPKWKIFXHMYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FOS/c14-11-3-1-2-10(8-11)9-16-13-6-4-12(15)5-7-13/h1-8,15H,9H2.
What are the key properties of 4-[(3-fluorophenyl)methylsulfanyl]phenol?
4-[(3-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 4-[(3-fluorophenyl)methylsulfanyl]phenol is sourced from PubChem (CID 61031715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).