2-(oxetan-3-ylsulfonyl)phenol

C9H10O4S — CID 84680337

IUPAC2-(oxetan-3-ylsulfonyl)phenol
SMILESO=S(=O)(c1ccccc1O)C1COC1
InChIInChI=1S/C9H10O4S/c10-8-3-1-2-4-9(8)14(11,12)7-5-13-6-7/h1-4,7,10H,5-6H2
InChIKeyDCEBUKGXUJGCTP-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.56
Rot. Bonds2

About 2-(oxetan-3-ylsulfonyl)phenol

2-(oxetan-3-ylsulfonyl)phenol (PubChem CID 84680337) has the molecular formula C9H10O4S and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-(oxetan-3-ylsulfonyl)phenol.

Molecular Properties

Compound Name2-(oxetan-3-ylsulfonyl)phenol
PubChem CID84680337
Molecular FormulaC9H10O4S
Molecular Weight214.24 g/mol
Exact Mass214.03
IUPAC Name2-(oxetan-3-ylsulfonyl)phenol
SMILESO=S(=O)(c1ccccc1O)C1COC1
InChIInChI=1S/C9H10O4S/c10-8-3-1-2-4-9(8)14(11,12)7-5-13-6-7/h1-4,7,10H,5-6H2
InChIKeyDCEBUKGXUJGCTP-UHFFFAOYSA-N
XLogP0.56
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

O-[[2-(oxetan-3-ylsulfonyl)phenyl]methyl]hydroxylamine
CID 117359913
3-methyl-3-[2-(oxetan-3-ylsulfonyl)phenyl]butanoic acid
CID 117480896
3-amino-3-[2-(oxetan-3-ylsulfonyl)phenyl]propanoic acid
CID 117459436
N-methyl-2-[2-(oxetan-3-ylsulfonyl)phenyl]ethanamine
CID 117391546
2-[2-(oxetan-3-ylsulfonyl)phenyl]piperidine
CID 117451635
5-[2-(oxetan-3-ylsulfonyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117496210
5-[2-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazol-3-amine
CID 117447698
3-[2-(1-isocyanatocyclopentyl)phenyl]sulfonyloxetane
CID 117492332
[3-bromo-4-(oxetan-3-ylsulfonyl)phenyl]methanol
CID 117492183
3-amino-4-(oxetan-3-ylsulfonyl)benzoic acid
CID 84805532
2-morpholin-4-ylsulfonylphenol
CID 79020270
formaldehyde;2-(2-hydroxyphenyl)sulfonylphenol
CID 6452549

Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-ylsulfonyl)phenol?
The IUPAC name of 2-(oxetan-3-ylsulfonyl)phenol (CID 84680337) is 2-(oxetan-3-ylsulfonyl)phenol.
What is the SMILES notation for 2-(oxetan-3-ylsulfonyl)phenol?
The canonical SMILES for 2-(oxetan-3-ylsulfonyl)phenol is O=S(=O)(c1ccccc1O)C1COC1.
What is the InChIKey of 2-(oxetan-3-ylsulfonyl)phenol?
The InChIKey is DCEBUKGXUJGCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4S/c10-8-3-1-2-4-9(8)14(11,12)7-5-13-6-7/h1-4,7,10H,5-6H2.
What are the key properties of 2-(oxetan-3-ylsulfonyl)phenol?
2-(oxetan-3-ylsulfonyl)phenol has a molecular weight of 214.24 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-ylsulfonyl)phenol is sourced from PubChem (CID 84680337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).