[3-(4-ethylphenyl)sulfonyloxetan-3-yl]methanol

C12H16O4S — CID 117037610

IUPAC[3-(4-ethylphenyl)sulfonyloxetan-3-yl]methanol
SMILESCCc1ccc(S(=O)(=O)C2(CO)COC2)cc1
InChIInChI=1S/C12H16O4S/c1-2-10-3-5-11(6-4-10)17(14,15)12(7-13)8-16-9-12/h3-6,13H,2,7-9H2,1H3
InChIKeyMIJSEQPLKKLOQZ-UHFFFAOYSA-N
MW256.32 g/mol
LogP0.78
Rot. Bonds4

About [3-(4-ethylphenyl)sulfonyloxetan-3-yl]methanol

[3-(4-ethylphenyl)sulfonyloxetan-3-yl]methanol (PubChem CID 117037610) has the molecular formula C12H16O4S and a molecular weight of 256.32 g/mol. Its IUPAC name is [3-(4-ethylphenyl)sulfonyloxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-(4-ethylphenyl)sulfonyloxetan-3-yl]methanol
PubChem CID117037610
Molecular FormulaC12H16O4S
Molecular Weight256.32 g/mol
Exact Mass256.08
IUPAC Name[3-(4-ethylphenyl)sulfonyloxetan-3-yl]methanol
SMILESCCc1ccc(S(=O)(=O)C2(CO)COC2)cc1
InChIInChI=1S/C12H16O4S/c1-2-10-3-5-11(6-4-10)17(14,15)12(7-13)8-16-9-12/h3-6,13H,2,7-9H2,1H3
InChIKeyMIJSEQPLKKLOQZ-UHFFFAOYSA-N
XLogP0.78
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-ethylphenyl)sulfonylcyclopropyl]methanol
CID 117037448
[1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine
CID 117032316
4-ethyl-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 55082213
1-ethyl-4-methylsulfonylbenzene
CID 143759723
(NE)-4-ethyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide
CID 167439578
N-(4-ethylphenyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
CID 115185258
1-(benzenesulfonyl)-4-ethylbenzene
CID 578693
4-ethylbenzenesulfonothioamide
CID 154167373
2-[(4-ethylphenyl)sulfonylamino]acetic acid
CID 757399
calcium bis(4-ethylbenzenesulfonate)
CID 87263292
[3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249056
2-(4-ethylphenyl)sulfonyl-2-methylpropan-1-ol
CID 116855241

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylphenyl)sulfonyloxetan-3-yl]methanol?
The IUPAC name of [3-(4-ethylphenyl)sulfonyloxetan-3-yl]methanol (CID 117037610) is [3-(4-ethylphenyl)sulfonyloxetan-3-yl]methanol.
What is the SMILES notation for [3-(4-ethylphenyl)sulfonyloxetan-3-yl]methanol?
The canonical SMILES for [3-(4-ethylphenyl)sulfonyloxetan-3-yl]methanol is CCc1ccc(S(=O)(=O)C2(CO)COC2)cc1.
What is the InChIKey of [3-(4-ethylphenyl)sulfonyloxetan-3-yl]methanol?
The InChIKey is MIJSEQPLKKLOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4S/c1-2-10-3-5-11(6-4-10)17(14,15)12(7-13)8-16-9-12/h3-6,13H,2,7-9H2,1H3.
What are the key properties of [3-(4-ethylphenyl)sulfonyloxetan-3-yl]methanol?
[3-(4-ethylphenyl)sulfonyloxetan-3-yl]methanol has a molecular weight of 256.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylphenyl)sulfonyloxetan-3-yl]methanol is sourced from PubChem (CID 117037610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).