2-(1-hydroxyethyl)-3-methylsulfonylphenol

C9H12O4S — CID 117308118

IUPAC2-(1-hydroxyethyl)-3-methylsulfonylphenol
SMILESCC(O)c1c(O)cccc1S(C)(=O)=O
InChIInChI=1S/C9H12O4S/c1-6(10)9-7(11)4-3-5-8(9)14(2,12)13/h3-6,10-11H,1-2H3
InChIKeyWKNYEGYENJMXDB-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.85
Rot. Bonds2

About 2-(1-hydroxyethyl)-3-methylsulfonylphenol

2-(1-hydroxyethyl)-3-methylsulfonylphenol (PubChem CID 117308118) has the molecular formula C9H12O4S and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-3-methylsulfonylphenol.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-3-methylsulfonylphenol
PubChem CID117308118
Molecular FormulaC9H12O4S
Molecular Weight216.26 g/mol
Exact Mass216.05
IUPAC Name2-(1-hydroxyethyl)-3-methylsulfonylphenol
SMILESCC(O)c1c(O)cccc1S(C)(=O)=O
InChIInChI=1S/C9H12O4S/c1-6(10)9-7(11)4-3-5-8(9)14(2,12)13/h3-6,10-11H,1-2H3
InChIKeyWKNYEGYENJMXDB-UHFFFAOYSA-N
XLogP0.85
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxy-6-methylsulfonylphenyl)butanal
CID 117357865
2-(2-chloro-6-methylsulfonylphenyl)-2-hydroxyacetic acid
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3-(2-hydroxy-6-methylsulfonylphenyl)-2-methylpropanoic acid
CID 117399286
3-[2,6-bis(methylsulfonyl)phenyl]pentanediamide
CID 20546233
1-(N-methyl-2-methylsulfonylanilino)propan-2-ol
CID 62335208
2-propan-2-ylsulfonylphenol
CID 587650
N-(2-hydroxyphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide
CID 142643377
2-[1-(3-methylsulfonylanilino)ethyl]benzene-1,3-diol
CID 107710778
2,6-bis(methylsulfonyl)benzaldehyde
CID 125449383
2-[1-[methyl(2-methylsulfonylethyl)amino]ethyl]benzene-1,3-diol
CID 107712009
3-(2-methylsulfonylphenyl)pentan-2-ol
CID 63201177
1-(2-hydroxy-6-methylsulfonylphenyl)-2-(methylamino)ethanone
CID 117359936

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-3-methylsulfonylphenol?
The IUPAC name of 2-(1-hydroxyethyl)-3-methylsulfonylphenol (CID 117308118) is 2-(1-hydroxyethyl)-3-methylsulfonylphenol.
What is the SMILES notation for 2-(1-hydroxyethyl)-3-methylsulfonylphenol?
The canonical SMILES for 2-(1-hydroxyethyl)-3-methylsulfonylphenol is CC(O)c1c(O)cccc1S(C)(=O)=O.
What is the InChIKey of 2-(1-hydroxyethyl)-3-methylsulfonylphenol?
The InChIKey is WKNYEGYENJMXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4S/c1-6(10)9-7(11)4-3-5-8(9)14(2,12)13/h3-6,10-11H,1-2H3.
What are the key properties of 2-(1-hydroxyethyl)-3-methylsulfonylphenol?
2-(1-hydroxyethyl)-3-methylsulfonylphenol has a molecular weight of 216.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-3-methylsulfonylphenol is sourced from PubChem (CID 117308118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).