1-[2-[2-(2-methylbutylsulfonyl)ethoxy]phenyl]ethanone

C15H22O4S — CID 103747724

IUPAC1-[2-[2-(2-methylbutylsulfonyl)ethoxy]phenyl]ethanone
SMILESCCC(C)CS(=O)(=O)CCOc1ccccc1C(C)=O
InChIInChI=1S/C15H22O4S/c1-4-12(2)11-20(17,18)10-9-19-15-8-6-5-7-14(15)13(3)16/h5-8,12H,4,9-11H2,1-3H3
InChIKeyZCEDHTOXNXGEGB-UHFFFAOYSA-N
MW298.40 g/mol
LogP2.73
Rot. Bonds8

About 1-[2-[2-(2-methylbutylsulfonyl)ethoxy]phenyl]ethanone

1-[2-[2-(2-methylbutylsulfonyl)ethoxy]phenyl]ethanone (PubChem CID 103747724) has the molecular formula C15H22O4S and a molecular weight of 298.40 g/mol. Its IUPAC name is 1-[2-[2-(2-methylbutylsulfonyl)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(2-methylbutylsulfonyl)ethoxy]phenyl]ethanone
PubChem CID103747724
Molecular FormulaC15H22O4S
Molecular Weight298.40 g/mol
Exact Mass298.12
IUPAC Name1-[2-[2-(2-methylbutylsulfonyl)ethoxy]phenyl]ethanone
SMILESCCC(C)CS(=O)(=O)CCOc1ccccc1C(C)=O
InChIInChI=1S/C15H22O4S/c1-4-12(2)11-20(17,18)10-9-19-15-8-6-5-7-14(15)13(3)16/h5-8,12H,4,9-11H2,1-3H3
InChIKeyZCEDHTOXNXGEGB-UHFFFAOYSA-N
XLogP2.73
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[2-(2-methylpentoxy)phenyl]ethanone
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1-[2-(2-iodoethoxy)phenyl]ethanone
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1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine
CID 81189444
1-[2-(2-hexoxyethoxy)phenyl]ethanone
CID 43793758
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1-[2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]phenyl]ethanone
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1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methylbutylsulfonyl)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-(2-methylbutylsulfonyl)ethoxy]phenyl]ethanone (CID 103747724) is 1-[2-[2-(2-methylbutylsulfonyl)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(2-methylbutylsulfonyl)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-(2-methylbutylsulfonyl)ethoxy]phenyl]ethanone is CCC(C)CS(=O)(=O)CCOc1ccccc1C(C)=O.
What is the InChIKey of 1-[2-[2-(2-methylbutylsulfonyl)ethoxy]phenyl]ethanone?
The InChIKey is ZCEDHTOXNXGEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4S/c1-4-12(2)11-20(17,18)10-9-19-15-8-6-5-7-14(15)13(3)16/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of 1-[2-[2-(2-methylbutylsulfonyl)ethoxy]phenyl]ethanone?
1-[2-[2-(2-methylbutylsulfonyl)ethoxy]phenyl]ethanone has a molecular weight of 298.40 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methylbutylsulfonyl)ethoxy]phenyl]ethanone is sourced from PubChem (CID 103747724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).