1-[3-(2-methylsulfonylethoxy)phenyl]ethanone

C11H14O4S — CID 60917043

IUPAC1-[3-(2-methylsulfonylethoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(OCCS(C)(=O)=O)c1
InChIInChI=1S/C11H14O4S/c1-9(12)10-4-3-5-11(8-10)15-6-7-16(2,13)14/h3-5,8H,6-7H2,1-2H3
InChIKeyHYIRVIYJWZNFJU-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.31
Rot. Bonds5

About 1-[3-(2-methylsulfonylethoxy)phenyl]ethanone

1-[3-(2-methylsulfonylethoxy)phenyl]ethanone (PubChem CID 60917043) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-[3-(2-methylsulfonylethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2-methylsulfonylethoxy)phenyl]ethanone
PubChem CID60917043
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name1-[3-(2-methylsulfonylethoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(OCCS(C)(=O)=O)c1
InChIInChI=1S/C11H14O4S/c1-9(12)10-4-3-5-11(8-10)15-6-7-16(2,13)14/h3-5,8H,6-7H2,1-2H3
InChIKeyHYIRVIYJWZNFJU-UHFFFAOYSA-N
XLogP1.31
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 14348752
1-[3-(4-methoxybutoxy)phenyl]ethanone
CID 57239152
1-[3-(3-aminopropoxy)phenyl]ethanone
CID 82146512
1-[3-[[hydroxy(dimethyl)-λ4-sulfanyl]methoxy]phenyl]ethanone
CID 144853014
1-(3-henicosoxyphenyl)ethanone
CID 23127401
1-[3-(chloromethoxy)phenyl]ethanone
CID 79531382
2-(3-acetylphenoxy)ethyl-diethylazanium
CID 7273681
1-[3-(3-phenylpropoxy)phenyl]ethanone
CID 21422440
1-[3-(3,3-difluorobutoxy)phenyl]ethanone
CID 84691840
1-[3-(2-ethylsulfanylethoxy)phenyl]ethanone
CID 115881899
3-(2-methylsulfonylethoxy)benzenesulfonyl chloride
CID 62499411
1-[3-(4-phenylbutoxy)phenyl]ethanone
CID 114333666

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylsulfonylethoxy)phenyl]ethanone?
The IUPAC name of 1-[3-(2-methylsulfonylethoxy)phenyl]ethanone (CID 60917043) is 1-[3-(2-methylsulfonylethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2-methylsulfonylethoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-(2-methylsulfonylethoxy)phenyl]ethanone is CC(=O)c1cccc(OCCS(C)(=O)=O)c1.
What is the InChIKey of 1-[3-(2-methylsulfonylethoxy)phenyl]ethanone?
The InChIKey is HYIRVIYJWZNFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c1-9(12)10-4-3-5-11(8-10)15-6-7-16(2,13)14/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 1-[3-(2-methylsulfonylethoxy)phenyl]ethanone?
1-[3-(2-methylsulfonylethoxy)phenyl]ethanone has a molecular weight of 242.30 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylsulfonylethoxy)phenyl]ethanone is sourced from PubChem (CID 60917043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).