(4-fluoro-3-methylsulfonylphenyl)methanol

C8H9FO3S — CID 66877838

IUPAC(4-fluoro-3-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1cc(CO)ccc1F
InChIInChI=1S/C8H9FO3S/c1-13(11,12)8-4-6(5-10)2-3-7(8)9/h2-4,10H,5H2,1H3
InChIKeyCWRDDRJVAVOIKJ-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.72
Rot. Bonds2

About (4-fluoro-3-methylsulfonylphenyl)methanol

(4-fluoro-3-methylsulfonylphenyl)methanol (PubChem CID 66877838) has the molecular formula C8H9FO3S and a molecular weight of 204.22 g/mol. Its IUPAC name is (4-fluoro-3-methylsulfonylphenyl)methanol.

Molecular Properties

Compound Name(4-fluoro-3-methylsulfonylphenyl)methanol
PubChem CID66877838
Molecular FormulaC8H9FO3S
Molecular Weight204.22 g/mol
Exact Mass204.03
IUPAC Name(4-fluoro-3-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1cc(CO)ccc1F
InChIInChI=1S/C8H9FO3S/c1-13(11,12)8-4-6(5-10)2-3-7(8)9/h2-4,10H,5H2,1H3
InChIKeyCWRDDRJVAVOIKJ-UHFFFAOYSA-N
XLogP0.72
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylsulfonylphenyl)methanol?
The IUPAC name of (4-fluoro-3-methylsulfonylphenyl)methanol (CID 66877838) is (4-fluoro-3-methylsulfonylphenyl)methanol.
What is the SMILES notation for (4-fluoro-3-methylsulfonylphenyl)methanol?
The canonical SMILES for (4-fluoro-3-methylsulfonylphenyl)methanol is CS(=O)(=O)c1cc(CO)ccc1F.
What is the InChIKey of (4-fluoro-3-methylsulfonylphenyl)methanol?
The InChIKey is CWRDDRJVAVOIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3S/c1-13(11,12)8-4-6(5-10)2-3-7(8)9/h2-4,10H,5H2,1H3.
What are the key properties of (4-fluoro-3-methylsulfonylphenyl)methanol?
(4-fluoro-3-methylsulfonylphenyl)methanol has a molecular weight of 204.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylsulfonylphenyl)methanol is sourced from PubChem (CID 66877838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).