3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene

C11H16O3S — CID 20690288

IUPAC3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene
SMILESCCOc1c(S(C)(=O)=O)ccc(C)c1C
InChIInChI=1S/C11H16O3S/c1-5-14-11-9(3)8(2)6-7-10(11)15(4,12)13/h6-7H,5H2,1-4H3
InChIKeyVZEPVAHITYQRNU-UHFFFAOYSA-N
MW228.31 g/mol
LogP2.11
Rot. Bonds3

About 3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene

3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene (PubChem CID 20690288) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene.

Molecular Properties

Compound Name3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene
PubChem CID20690288
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene
SMILESCCOc1c(S(C)(=O)=O)ccc(C)c1C
InChIInChI=1S/C11H16O3S/c1-5-14-11-9(3)8(2)6-7-10(11)15(4,12)13/h6-7H,5H2,1-4H3
InChIKeyVZEPVAHITYQRNU-UHFFFAOYSA-N
XLogP2.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-2-ethoxy-3,4-dimethylbenzene
CID 143804425
1-(2-ethoxy-3,4-dimethylphenyl)sulfonyl-2-methyl-5-nitroimidazole
CID 25248861
4-ethoxy-2,3-dimethylbenzenesulfonamide
CID 43164397
O-[(2-ethoxy-3,4-dimethylphenyl)methyl]hydroxylamine
CID 117285502
4-ethoxy-3-methylsulfonylquinoline
CID 141129926
(E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine
CID 117294018
6-ethylsulfonyl-2,3-dimethylphenol
CID 91442868
2-ethoxy-3-ethyl-1,4-dimethylbenzene
CID 145358805
4-ethoxy-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide
CID 15943936
4-(chloromethyl)-2-methyl-1-methylsulfonylbenzene
CID 153283435
ethane;2-ethoxy-1,3-dimethylbenzene
CID 91163284
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-ethoxy-3-methylsulfonylanilino)acetamide
CID 22304961

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene?
The IUPAC name of 3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene (CID 20690288) is 3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene.
What is the SMILES notation for 3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene?
The canonical SMILES for 3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene is CCOc1c(S(C)(=O)=O)ccc(C)c1C.
What is the InChIKey of 3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene?
The InChIKey is VZEPVAHITYQRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-5-14-11-9(3)8(2)6-7-10(11)15(4,12)13/h6-7H,5H2,1-4H3.
What are the key properties of 3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene?
3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene has a molecular weight of 228.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene is sourced from PubChem (CID 20690288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).