[1-(4-ethylphenyl)sulfonylcyclopropyl]methanol

C12H16O3S — CID 117037448

IUPAC[1-(4-ethylphenyl)sulfonylcyclopropyl]methanol
SMILESCCc1ccc(S(=O)(=O)C2(CO)CC2)cc1
InChIInChI=1S/C12H16O3S/c1-2-10-3-5-11(6-4-10)16(14,15)12(9-13)7-8-12/h3-6,13H,2,7-9H2,1H3
InChIKeyQLQYIBDEKPXTBU-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.55
Rot. Bonds4

About [1-(4-ethylphenyl)sulfonylcyclopropyl]methanol

[1-(4-ethylphenyl)sulfonylcyclopropyl]methanol (PubChem CID 117037448) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is [1-(4-ethylphenyl)sulfonylcyclopropyl]methanol.

Molecular Properties

Compound Name[1-(4-ethylphenyl)sulfonylcyclopropyl]methanol
PubChem CID117037448
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name[1-(4-ethylphenyl)sulfonylcyclopropyl]methanol
SMILESCCc1ccc(S(=O)(=O)C2(CO)CC2)cc1
InChIInChI=1S/C12H16O3S/c1-2-10-3-5-11(6-4-10)16(14,15)12(9-13)7-8-12/h3-6,13H,2,7-9H2,1H3
InChIKeyQLQYIBDEKPXTBU-UHFFFAOYSA-N
XLogP1.55
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-ethylphenyl)sulfonyloxetan-3-yl]methanol
CID 117037610
[1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine
CID 117032316
(1-ethylcyclopropyl)sulfonylbenzene
CID 70894852
4-ethyl-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 55082213
[1-(3-methylphenyl)sulfonylcyclopropyl]methanol
CID 115035637
1-ethyl-4-methylsulfonylbenzene
CID 143759723
4-ethylbenzenesulfonothioamide
CID 154167373
1-(benzenesulfonyl)-4-ethylbenzene
CID 578693
2-[(4-ethylphenyl)sulfonylamino]acetic acid
CID 757399
calcium bis(4-ethylbenzenesulfonate)
CID 87263292
[1-[(4-ethylphenyl)methyl]cyclopropyl]methanol
CID 66025212
2-(4-ethylphenyl)sulfonyl-2-methylpropan-1-ol
CID 116855241

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylphenyl)sulfonylcyclopropyl]methanol?
The IUPAC name of [1-(4-ethylphenyl)sulfonylcyclopropyl]methanol (CID 117037448) is [1-(4-ethylphenyl)sulfonylcyclopropyl]methanol.
What is the SMILES notation for [1-(4-ethylphenyl)sulfonylcyclopropyl]methanol?
The canonical SMILES for [1-(4-ethylphenyl)sulfonylcyclopropyl]methanol is CCc1ccc(S(=O)(=O)C2(CO)CC2)cc1.
What is the InChIKey of [1-(4-ethylphenyl)sulfonylcyclopropyl]methanol?
The InChIKey is QLQYIBDEKPXTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3S/c1-2-10-3-5-11(6-4-10)16(14,15)12(9-13)7-8-12/h3-6,13H,2,7-9H2,1H3.
What are the key properties of [1-(4-ethylphenyl)sulfonylcyclopropyl]methanol?
[1-(4-ethylphenyl)sulfonylcyclopropyl]methanol has a molecular weight of 240.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylphenyl)sulfonylcyclopropyl]methanol is sourced from PubChem (CID 117037448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).