ethyl 2-[2-(2-acetylphenoxy)ethylsulfonyl]acetate

C14H18O6S — CID 64635410

IUPACethyl 2-[2-(2-acetylphenoxy)ethylsulfonyl]acetate
SMILESCCOC(=O)CS(=O)(=O)CCOc1ccccc1C(C)=O
InChIInChI=1S/C14H18O6S/c1-3-19-14(16)10-21(17,18)9-8-20-13-7-5-4-6-12(13)11(2)15/h4-7H,3,8-10H2,1-2H3
InChIKeyIWTAZICEUZOYOH-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.25
Rot. Bonds8

About ethyl 2-[2-(2-acetylphenoxy)ethylsulfonyl]acetate

ethyl 2-[2-(2-acetylphenoxy)ethylsulfonyl]acetate (PubChem CID 64635410) has the molecular formula C14H18O6S and a molecular weight of 314.36 g/mol. Its IUPAC name is ethyl 2-[2-(2-acetylphenoxy)ethylsulfonyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-acetylphenoxy)ethylsulfonyl]acetate
PubChem CID64635410
Molecular FormulaC14H18O6S
Molecular Weight314.36 g/mol
Exact Mass314.08
IUPAC Nameethyl 2-[2-(2-acetylphenoxy)ethylsulfonyl]acetate
SMILESCCOC(=O)CS(=O)(=O)CCOc1ccccc1C(C)=O
InChIInChI=1S/C14H18O6S/c1-3-19-14(16)10-21(17,18)9-8-20-13-7-5-4-6-12(13)11(2)15/h4-7H,3,8-10H2,1-2H3
InChIKeyIWTAZICEUZOYOH-UHFFFAOYSA-N
XLogP1.25
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(2-aminophenoxy)ethylsulfonyl]acetate
CID 43618414
1-[2-[2-(2-methylbutylsulfonyl)ethoxy]phenyl]ethanone
CID 103747724
ethyl 2-[2-[4-(aminomethyl)phenoxy]ethylsulfonyl]acetate
CID 64698855
2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide
CID 54914844
1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone
CID 2284019
propyl 2-(2-acetylphenoxy)acetate
CID 82312019
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575
3-(2-acetylphenoxy)-N,N-dimethylpropanamide
CID 54879002
1-[2-(8-aminooctoxy)phenyl]ethanone
CID 142412134
2-(4-ethoxy-4-oxobutoxy)benzoic acid
CID 139610129
1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone
CID 106725008
1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-acetylphenoxy)ethylsulfonyl]acetate?
The IUPAC name of ethyl 2-[2-(2-acetylphenoxy)ethylsulfonyl]acetate (CID 64635410) is ethyl 2-[2-(2-acetylphenoxy)ethylsulfonyl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-acetylphenoxy)ethylsulfonyl]acetate?
The canonical SMILES for ethyl 2-[2-(2-acetylphenoxy)ethylsulfonyl]acetate is CCOC(=O)CS(=O)(=O)CCOc1ccccc1C(C)=O.
What is the InChIKey of ethyl 2-[2-(2-acetylphenoxy)ethylsulfonyl]acetate?
The InChIKey is IWTAZICEUZOYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6S/c1-3-19-14(16)10-21(17,18)9-8-20-13-7-5-4-6-12(13)11(2)15/h4-7H,3,8-10H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-acetylphenoxy)ethylsulfonyl]acetate?
ethyl 2-[2-(2-acetylphenoxy)ethylsulfonyl]acetate has a molecular weight of 314.36 g/mol, XLogP of 1.25, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-acetylphenoxy)ethylsulfonyl]acetate is sourced from PubChem (CID 64635410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).