1-(4-ethylsulfonylphenyl)-2-methylpropan-2-ol

C12H18O3S — CID 116928680

IUPAC1-(4-ethylsulfonylphenyl)-2-methylpropan-2-ol
SMILESCCS(=O)(=O)c1ccc(CC(C)(C)O)cc1
InChIInChI=1S/C12H18O3S/c1-4-16(14,15)11-7-5-10(6-8-11)9-12(2,3)13/h5-8,13H,4,9H2,1-3H3
InChIKeyONHYSRXRPQYMHQ-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.79
Rot. Bonds4

About 1-(4-ethylsulfonylphenyl)-2-methylpropan-2-ol

1-(4-ethylsulfonylphenyl)-2-methylpropan-2-ol (PubChem CID 116928680) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(4-ethylsulfonylphenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-ethylsulfonylphenyl)-2-methylpropan-2-ol
PubChem CID116928680
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name1-(4-ethylsulfonylphenyl)-2-methylpropan-2-ol
SMILESCCS(=O)(=O)c1ccc(CC(C)(C)O)cc1
InChIInChI=1S/C12H18O3S/c1-4-16(14,15)11-7-5-10(6-8-11)9-12(2,3)13/h5-8,13H,4,9H2,1-3H3
InChIKeyONHYSRXRPQYMHQ-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-1-(4-methylsulfonylphenyl)propan-2-ol
CID 19066239
1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol
CID 126511396
4-(2-hydroxy-2-methylpropyl)sulfonylphenol
CID 111435442
3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine
CID 106165647
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
1-[(4-ethylsulfonylphenyl)methylamino]ethanol
CID 175910689
N-[(4-ethylsulfonylphenyl)methyl]carbamoyl chloride
CID 115194677
2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine
CID 82477614
1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol
CID 82126479
N-[(1R)-1-(4-ethylsulfonylphenyl)ethyl]-2-methyl-1-phenylpropan-2-amine
CID 97258597
1-(4-amino-3-methylsulfonylphenyl)-2-methylpropan-2-ol
CID 116998659
N-[(4-ethylsulfonylphenyl)methyl]-2-oxopropanamide
CID 115175667

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfonylphenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-ethylsulfonylphenyl)-2-methylpropan-2-ol (CID 116928680) is 1-(4-ethylsulfonylphenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-ethylsulfonylphenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-ethylsulfonylphenyl)-2-methylpropan-2-ol is CCS(=O)(=O)c1ccc(CC(C)(C)O)cc1.
What is the InChIKey of 1-(4-ethylsulfonylphenyl)-2-methylpropan-2-ol?
The InChIKey is ONHYSRXRPQYMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3S/c1-4-16(14,15)11-7-5-10(6-8-11)9-12(2,3)13/h5-8,13H,4,9H2,1-3H3.
What are the key properties of 1-(4-ethylsulfonylphenyl)-2-methylpropan-2-ol?
1-(4-ethylsulfonylphenyl)-2-methylpropan-2-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 1-(4-ethylsulfonylphenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 116928680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).