ethylsulfonylbenzene;phenol

C14H16O3S — CID 174951751

IUPACethylsulfonylbenzene;phenol
SMILESCCS(=O)(=O)c1ccccc1.Oc1ccccc1
InChIInChI=1S/C8H10O2S.C6H6O/c1-2-11(9,10)8-6-4-3-5-7-8;7-6-4-2-1-3-5-6/h3-7H,2H2,1H3;1-5,7H
InChIKeyGLEVQYHYBBUZJF-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.87
Rot. Bonds2

About ethylsulfonylbenzene;phenol

ethylsulfonylbenzene;phenol (PubChem CID 174951751) has the molecular formula C14H16O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is ethylsulfonylbenzene;phenol.

Molecular Properties

Compound Nameethylsulfonylbenzene;phenol
PubChem CID174951751
Molecular FormulaC14H16O3S
Molecular Weight264.35 g/mol
Exact Mass264.08
IUPAC Nameethylsulfonylbenzene;phenol
SMILESCCS(=O)(=O)c1ccccc1.Oc1ccccc1
InChIInChI=1S/C8H10O2S.C6H6O/c1-2-11(9,10)8-6-4-3-5-7-8;7-6-4-2-1-3-5-6/h3-7H,2H2,1H3;1-5,7H
InChIKeyGLEVQYHYBBUZJF-UHFFFAOYSA-N
XLogP2.87
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methane;methylsulfonylbenzene;4-methylsulfonylphenol
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ethane;phenol
CID 161156308
molecular oxygen;phenol
CID 141080591
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CID 20568806
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CID 70504125
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CID 174753936

Frequently Asked Questions

What is the IUPAC name of ethylsulfonylbenzene;phenol?
The IUPAC name of ethylsulfonylbenzene;phenol (CID 174951751) is ethylsulfonylbenzene;phenol.
What is the SMILES notation for ethylsulfonylbenzene;phenol?
The canonical SMILES for ethylsulfonylbenzene;phenol is CCS(=O)(=O)c1ccccc1.Oc1ccccc1.
What is the InChIKey of ethylsulfonylbenzene;phenol?
The InChIKey is GLEVQYHYBBUZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S.C6H6O/c1-2-11(9,10)8-6-4-3-5-7-8;7-6-4-2-1-3-5-6/h3-7H,2H2,1H3;1-5,7H.
What are the key properties of ethylsulfonylbenzene;phenol?
ethylsulfonylbenzene;phenol has a molecular weight of 264.35 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfonylbenzene;phenol is sourced from PubChem (CID 174951751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).