2-(4-ethylphenyl)sulfonyl-2-methylpropan-1-ol

C12H18O3S — CID 116855241

IUPAC2-(4-ethylphenyl)sulfonyl-2-methylpropan-1-ol
SMILESCCc1ccc(S(=O)(=O)C(C)(C)CO)cc1
InChIInChI=1S/C12H18O3S/c1-4-10-5-7-11(8-6-10)16(14,15)12(2,3)9-13/h5-8,13H,4,9H2,1-3H3
InChIKeyIJZXHXRSBSFENS-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.79
Rot. Bonds4

About 2-(4-ethylphenyl)sulfonyl-2-methylpropan-1-ol

2-(4-ethylphenyl)sulfonyl-2-methylpropan-1-ol (PubChem CID 116855241) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(4-ethylphenyl)sulfonyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4-ethylphenyl)sulfonyl-2-methylpropan-1-ol
PubChem CID116855241
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name2-(4-ethylphenyl)sulfonyl-2-methylpropan-1-ol
SMILESCCc1ccc(S(=O)(=O)C(C)(C)CO)cc1
InChIInChI=1S/C12H18O3S/c1-4-10-5-7-11(8-6-10)16(14,15)12(2,3)9-13/h5-8,13H,4,9H2,1-3H3
InChIKeyIJZXHXRSBSFENS-UHFFFAOYSA-N
XLogP1.79
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol
CID 116855244
3-(4-ethylphenyl)sulfonyl-2,2-dimethylpropan-1-amine
CID 116853143
2-methyl-2-(1H-pyrrol-3-ylsulfonyl)propan-1-ol
CID 116855267
1-ethyl-4-methylsulfonylbenzene
CID 143759723
calcium bis(4-ethylbenzenesulfonate)
CID 87263292
3-(4-ethylphenyl)-2,2-dimethylpropan-1-ol
CID 21254615
(4-ethylphenyl)-imino-methyl-oxo-λ6-sulfane
CID 147118244
(4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane
CID 58248155
3-(4-ethylphenyl)sulfonylpropanoate
CID 7425007
1-tert-butylsulfonyl-4-propylbenzene
CID 20680785
[1-(4-ethylphenyl)sulfonylcyclopropyl]methanol
CID 117037448
2-amino-2-(4-ethylphenyl)propan-1-ol
CID 61054820

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)sulfonyl-2-methylpropan-1-ol?
The IUPAC name of 2-(4-ethylphenyl)sulfonyl-2-methylpropan-1-ol (CID 116855241) is 2-(4-ethylphenyl)sulfonyl-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4-ethylphenyl)sulfonyl-2-methylpropan-1-ol?
The canonical SMILES for 2-(4-ethylphenyl)sulfonyl-2-methylpropan-1-ol is CCc1ccc(S(=O)(=O)C(C)(C)CO)cc1.
What is the InChIKey of 2-(4-ethylphenyl)sulfonyl-2-methylpropan-1-ol?
The InChIKey is IJZXHXRSBSFENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3S/c1-4-10-5-7-11(8-6-10)16(14,15)12(2,3)9-13/h5-8,13H,4,9H2,1-3H3.
What are the key properties of 2-(4-ethylphenyl)sulfonyl-2-methylpropan-1-ol?
2-(4-ethylphenyl)sulfonyl-2-methylpropan-1-ol has a molecular weight of 242.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)sulfonyl-2-methylpropan-1-ol is sourced from PubChem (CID 116855241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).