6-ethylsulfonyl-2,3-dimethylphenol

C10H14O3S — CID 91442868

IUPAC6-ethylsulfonyl-2,3-dimethylphenol
SMILESCCS(=O)(=O)c1ccc(C)c(C)c1O
InChIInChI=1S/C10H14O3S/c1-4-14(12,13)9-6-5-7(2)8(3)10(9)11/h5-6,11H,4H2,1-3H3
InChIKeyJEXFFQQBLUIPIW-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.80
Rot. Bonds2

About 6-ethylsulfonyl-2,3-dimethylphenol

6-ethylsulfonyl-2,3-dimethylphenol (PubChem CID 91442868) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 6-ethylsulfonyl-2,3-dimethylphenol.

Molecular Properties

Compound Name6-ethylsulfonyl-2,3-dimethylphenol
PubChem CID91442868
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name6-ethylsulfonyl-2,3-dimethylphenol
SMILESCCS(=O)(=O)c1ccc(C)c(C)c1O
InChIInChI=1S/C10H14O3S/c1-4-14(12,13)9-6-5-7(2)8(3)10(9)11/h5-6,11H,4H2,1-3H3
InChIKeyJEXFFQQBLUIPIW-UHFFFAOYSA-N
XLogP1.80
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol
CID 101302128
(3-ethylsulfonyl-4-methylphenyl)methanol
CID 112594371
aluminum;3,4-dimethyl-2-oxidobenzenesulfonate;2,3-dimethyl-6-sulfophenolate;2-hydroxy-3,4-dimethylbenzenesulfonic acid
CID 170846075
disodium;2-hydroxy-3-methylbenzene-1,4-disulfonate
CID 118522856
ruthenium(3+);tris(2,3,4-trimethylbenzenesulfonate);hexahydrate
CID 141027076
2-chloro-4-ethylsulfonyl-3-methylbenzoic acid
CID 86213592
1-ethylsulfonyl-4-methoxy-2-methylbenzene
CID 69494919
2-hydroxy-3-methoxy-4-methylbenzenesulfonic acid
CID 21026705
3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene
CID 20690288
2,3-dimethylbenzenesulfonoperoxoic acid
CID 175563588
6-ethoxy-2,3-dimethylphenol
CID 119015224
3-ethylsulfonyl-2,4-dimethylbenzoic acid
CID 125468614

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-2,3-dimethylphenol?
The IUPAC name of 6-ethylsulfonyl-2,3-dimethylphenol (CID 91442868) is 6-ethylsulfonyl-2,3-dimethylphenol.
What is the SMILES notation for 6-ethylsulfonyl-2,3-dimethylphenol?
The canonical SMILES for 6-ethylsulfonyl-2,3-dimethylphenol is CCS(=O)(=O)c1ccc(C)c(C)c1O.
What is the InChIKey of 6-ethylsulfonyl-2,3-dimethylphenol?
The InChIKey is JEXFFQQBLUIPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-4-14(12,13)9-6-5-7(2)8(3)10(9)11/h5-6,11H,4H2,1-3H3.
What are the key properties of 6-ethylsulfonyl-2,3-dimethylphenol?
6-ethylsulfonyl-2,3-dimethylphenol has a molecular weight of 214.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-2,3-dimethylphenol is sourced from PubChem (CID 91442868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).