3-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-1-ol

C12H15FO4S — CID 117438220

IUPAC3-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-1-ol
SMILESO=S(=O)(c1ccc(CCCO)cc1F)C1COC1
InChIInChI=1S/C12H15FO4S/c13-11-6-9(2-1-5-14)3-4-12(11)18(15,16)10-7-17-8-10/h3-4,6,10,14H,1-2,5,7-8H2
InChIKeyXGZYLWGFMCFISA-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.92
Rot. Bonds5

About 3-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-1-ol

3-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-1-ol (PubChem CID 117438220) has the molecular formula C12H15FO4S and a molecular weight of 274.31 g/mol. Its IUPAC name is 3-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-1-ol
PubChem CID117438220
Molecular FormulaC12H15FO4S
Molecular Weight274.31 g/mol
Exact Mass274.07
IUPAC Name3-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-1-ol
SMILESO=S(=O)(c1ccc(CCCO)cc1F)C1COC1
InChIInChI=1S/C12H15FO4S/c13-11-6-9(2-1-5-14)3-4-12(11)18(15,16)10-7-17-8-10/h3-4,6,10,14H,1-2,5,7-8H2
InChIKeyXGZYLWGFMCFISA-UHFFFAOYSA-N
XLogP0.92
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-amine
CID 117435672
4-[[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]methyl]piperidine
CID 117498748
(4-cyclopropylsulfonyl-3-fluorophenyl)methanol
CID 84693412
[3-bromo-4-(oxetan-3-ylsulfonyl)phenyl]methanol
CID 117492183
1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]cyclohexan-1-amine
CID 117498745
4-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]-1,2-oxazol-5-amine
CID 117480730
3-(4-cyclohexyl-3-fluorophenyl)propan-1-ol
CID 117345509
2-fluoro-4-pentadecylbenzenesulfonic acid
CID 87359699
3-(4-cyclopropylsulfanyl-3-fluorophenyl)propan-1-ol
CID 117325748
2-(oxetan-3-ylsulfonyl)phenol
CID 84680337
[3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol
CID 79187452
2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 79187243

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-1-ol?
The IUPAC name of 3-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-1-ol (CID 117438220) is 3-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-1-ol is O=S(=O)(c1ccc(CCCO)cc1F)C1COC1.
What is the InChIKey of 3-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-1-ol?
The InChIKey is XGZYLWGFMCFISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4S/c13-11-6-9(2-1-5-14)3-4-12(11)18(15,16)10-7-17-8-10/h3-4,6,10,14H,1-2,5,7-8H2.
What are the key properties of 3-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-1-ol?
3-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-1-ol has a molecular weight of 274.31 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-1-ol is sourced from PubChem (CID 117438220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).