4-[(4-fluorophenyl)methylsulfonyl]phenol

C13H11FO3S — CID 47475472

IUPAC4-[(4-fluorophenyl)methylsulfonyl]phenol
SMILESO=S(=O)(Cc1ccc(F)cc1)c1ccc(O)cc1
InChIInChI=1S/C13H11FO3S/c14-11-3-1-10(2-4-11)9-18(16,17)13-7-5-12(15)6-8-13/h1-8,15H,9H2
InChIKeyGGGLSWPTGJFUIL-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.51
Rot. Bonds3

About 4-[(4-fluorophenyl)methylsulfonyl]phenol

4-[(4-fluorophenyl)methylsulfonyl]phenol (PubChem CID 47475472) has the molecular formula C13H11FO3S and a molecular weight of 266.29 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylsulfonyl]phenol.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylsulfonyl]phenol
PubChem CID47475472
Molecular FormulaC13H11FO3S
Molecular Weight266.29 g/mol
Exact Mass266.04
IUPAC Name4-[(4-fluorophenyl)methylsulfonyl]phenol
SMILESO=S(=O)(Cc1ccc(F)cc1)c1ccc(O)cc1
InChIInChI=1S/C13H11FO3S/c14-11-3-1-10(2-4-11)9-18(16,17)13-7-5-12(15)6-8-13/h1-8,15H,9H2
InChIKeyGGGLSWPTGJFUIL-UHFFFAOYSA-N
XLogP2.51
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylsulfonyl]phenol?
The IUPAC name of 4-[(4-fluorophenyl)methylsulfonyl]phenol (CID 47475472) is 4-[(4-fluorophenyl)methylsulfonyl]phenol.
What is the SMILES notation for 4-[(4-fluorophenyl)methylsulfonyl]phenol?
The canonical SMILES for 4-[(4-fluorophenyl)methylsulfonyl]phenol is O=S(=O)(Cc1ccc(F)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methylsulfonyl]phenol?
The InChIKey is GGGLSWPTGJFUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3S/c14-11-3-1-10(2-4-11)9-18(16,17)13-7-5-12(15)6-8-13/h1-8,15H,9H2.
What are the key properties of 4-[(4-fluorophenyl)methylsulfonyl]phenol?
4-[(4-fluorophenyl)methylsulfonyl]phenol has a molecular weight of 266.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylsulfonyl]phenol is sourced from PubChem (CID 47475472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).