3-(4-propan-2-ylsulfonylphenyl)oxetan-3-ol

C12H16O4S — CID 116873012

IUPAC3-(4-propan-2-ylsulfonylphenyl)oxetan-3-ol
SMILESCC(C)S(=O)(=O)c1ccc(C2(O)COC2)cc1
InChIInChI=1S/C12H16O4S/c1-9(2)17(14,15)11-5-3-10(4-6-11)12(13)7-16-8-12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyRNKRUUBIBAIVKT-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.09
Rot. Bonds3

About 3-(4-propan-2-ylsulfonylphenyl)oxetan-3-ol

3-(4-propan-2-ylsulfonylphenyl)oxetan-3-ol (PubChem CID 116873012) has the molecular formula C12H16O4S and a molecular weight of 256.32 g/mol. Its IUPAC name is 3-(4-propan-2-ylsulfonylphenyl)oxetan-3-ol.

Molecular Properties

Compound Name3-(4-propan-2-ylsulfonylphenyl)oxetan-3-ol
PubChem CID116873012
Molecular FormulaC12H16O4S
Molecular Weight256.32 g/mol
Exact Mass256.08
IUPAC Name3-(4-propan-2-ylsulfonylphenyl)oxetan-3-ol
SMILESCC(C)S(=O)(=O)c1ccc(C2(O)COC2)cc1
InChIInChI=1S/C12H16O4S/c1-9(2)17(14,15)11-5-3-10(4-6-11)12(13)7-16-8-12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyRNKRUUBIBAIVKT-UHFFFAOYSA-N
XLogP1.09
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-propan-2-ylsulfonylphenyl)oxetan-3-amine
CID 116872679
2-ethyl-2-(4-propan-2-ylsulfonylphenyl)-1,3-dioxolane
CID 83957516
1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene
CID 89343699
(1-aminocyclopropyl)-(4-propan-2-ylsulfonylphenyl)methanol
CID 116836205
2-bromo-1-(4-propan-2-ylsulfonylphenyl)ethanone
CID 70700384
2-(4-propan-2-ylsulfonylphenyl)prop-2-enenitrile
CID 116843134
2-(4-propan-2-ylsulfonylphenyl)ethanol
CID 69406011
1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 16838369
[4-(3-hydroxyoxetan-3-yl)phenyl]-[5-[4-(trifluoromethyl)phenyl]sulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]methanone
CID 164533393
6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene
CID 117031949
1-nitro-4-propan-2-ylsulfonylbenzene
CID 4228077
6-(4-propan-2-ylsulfonylbenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136510

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylsulfonylphenyl)oxetan-3-ol?
The IUPAC name of 3-(4-propan-2-ylsulfonylphenyl)oxetan-3-ol (CID 116873012) is 3-(4-propan-2-ylsulfonylphenyl)oxetan-3-ol.
What is the SMILES notation for 3-(4-propan-2-ylsulfonylphenyl)oxetan-3-ol?
The canonical SMILES for 3-(4-propan-2-ylsulfonylphenyl)oxetan-3-ol is CC(C)S(=O)(=O)c1ccc(C2(O)COC2)cc1.
What is the InChIKey of 3-(4-propan-2-ylsulfonylphenyl)oxetan-3-ol?
The InChIKey is RNKRUUBIBAIVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4S/c1-9(2)17(14,15)11-5-3-10(4-6-11)12(13)7-16-8-12/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylsulfonylphenyl)oxetan-3-ol?
3-(4-propan-2-ylsulfonylphenyl)oxetan-3-ol has a molecular weight of 256.32 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylsulfonylphenyl)oxetan-3-ol is sourced from PubChem (CID 116873012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).