ethyl 2-[3-(2-oxopropyl)phenoxy]acetate

C13H16O4 — CID 59846798

IUPACethyl 2-[3-(2-oxopropyl)phenoxy]acetate
SMILESCCOC(=O)COc1cccc(CC(C)=O)c1
InChIInChI=1S/C13H16O4/c1-3-16-13(15)9-17-12-6-4-5-11(8-12)7-10(2)14/h4-6,8H,3,7,9H2,1-2H3
InChIKeyICTHSBLZXDRJKQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.76
Rot. Bonds6

About ethyl 2-[3-(2-oxopropyl)phenoxy]acetate

ethyl 2-[3-(2-oxopropyl)phenoxy]acetate (PubChem CID 59846798) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 2-[3-(2-oxopropyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-oxopropyl)phenoxy]acetate
PubChem CID59846798
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Nameethyl 2-[3-(2-oxopropyl)phenoxy]acetate
SMILESCCOC(=O)COc1cccc(CC(C)=O)c1
InChIInChI=1S/C13H16O4/c1-3-16-13(15)9-17-12-6-4-5-11(8-12)7-10(2)14/h4-6,8H,3,7,9H2,1-2H3
InChIKeyICTHSBLZXDRJKQ-UHFFFAOYSA-N
XLogP1.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-(methylaminomethyl)phenoxy]acetate
CID 60882222
ethyl 2-[4-(2-oxopropyl)phenoxy]acetate;1-(4-hydroxyphenyl)propan-2-one
CID 159239031
ethyl 2-[3-(4-methylsulfonyloxybutyl)phenoxy]acetate
CID 91385390
acetyl 3-(2-ethoxy-2-oxoethoxy)benzoate
CID 169229765
propyl 2-(3-ethylphenoxy)acetate
CID 71628037
ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate
CID 86689297
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-[3-[[2-(hydroxymethyl)cyclohexyl]methyl]phenoxy]acetate
CID 91408163
2-(3-ethylphenoxy)-N-methylacetohydrazide
CID 116820496
2-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 170769259
ethyl 2-[3-(2-iodoethylcarbamoyl)phenoxy]acetate
CID 129027228
ethyl 2-[3-[(2,4-dimethylphenyl)methoxy]phenyl]acetate
CID 66875325

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-oxopropyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[3-(2-oxopropyl)phenoxy]acetate (CID 59846798) is ethyl 2-[3-(2-oxopropyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-(2-oxopropyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-(2-oxopropyl)phenoxy]acetate is CCOC(=O)COc1cccc(CC(C)=O)c1.
What is the InChIKey of ethyl 2-[3-(2-oxopropyl)phenoxy]acetate?
The InChIKey is ICTHSBLZXDRJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-3-16-13(15)9-17-12-6-4-5-11(8-12)7-10(2)14/h4-6,8H,3,7,9H2,1-2H3.
What are the key properties of ethyl 2-[3-(2-oxopropyl)phenoxy]acetate?
ethyl 2-[3-(2-oxopropyl)phenoxy]acetate has a molecular weight of 236.27 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-oxopropyl)phenoxy]acetate is sourced from PubChem (CID 59846798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).