propyl 2-(2-ethoxyphenoxy)acetate

C13H18O4 — CID 112724725

IUPACpropyl 2-(2-ethoxyphenoxy)acetate
SMILESCCCOC(=O)COc1ccccc1OCC
InChIInChI=1S/C13H18O4/c1-3-9-16-13(14)10-17-12-8-6-5-7-11(12)15-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyLNAPRGSXKNDFOL-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.42
Rot. Bonds7

About propyl 2-(2-ethoxyphenoxy)acetate

propyl 2-(2-ethoxyphenoxy)acetate (PubChem CID 112724725) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is propyl 2-(2-ethoxyphenoxy)acetate.

Molecular Properties

Compound Namepropyl 2-(2-ethoxyphenoxy)acetate
PubChem CID112724725
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namepropyl 2-(2-ethoxyphenoxy)acetate
SMILESCCCOC(=O)COc1ccccc1OCC
InChIInChI=1S/C13H18O4/c1-3-9-16-13(14)10-17-12-8-6-5-7-11(12)15-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyLNAPRGSXKNDFOL-UHFFFAOYSA-N
XLogP2.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 2-(2-ethoxyphenoxy)acetate
CID 54941442
propyl 2-(2-acetylphenoxy)acetate
CID 82312019
butyl 2-(2-methoxyphenoxy)acetate
CID 54941635
butyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931640
propyl 2-(2,6-dimethylphenoxy)acetate
CID 71628034
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931582
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272263
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844494
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 7791207
methyl 4-[[2-(2-ethoxyphenoxy)acetyl]oxymethyl]benzoate
CID 23856179

Frequently Asked Questions

What is the IUPAC name of propyl 2-(2-ethoxyphenoxy)acetate?
The IUPAC name of propyl 2-(2-ethoxyphenoxy)acetate (CID 112724725) is propyl 2-(2-ethoxyphenoxy)acetate.
What is the SMILES notation for propyl 2-(2-ethoxyphenoxy)acetate?
The canonical SMILES for propyl 2-(2-ethoxyphenoxy)acetate is CCCOC(=O)COc1ccccc1OCC.
What is the InChIKey of propyl 2-(2-ethoxyphenoxy)acetate?
The InChIKey is LNAPRGSXKNDFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-3-9-16-13(14)10-17-12-8-6-5-7-11(12)15-4-2/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of propyl 2-(2-ethoxyphenoxy)acetate?
propyl 2-(2-ethoxyphenoxy)acetate has a molecular weight of 238.28 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2-ethoxyphenoxy)acetate is sourced from PubChem (CID 112724725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).