propyl 2-(4-ethylphenoxy)acetate

C13H18O3 — CID 78907907

IUPACpropyl 2-(4-ethylphenoxy)acetate
SMILESCCCOC(=O)COc1ccc(CC)cc1
InChIInChI=1S/C13H18O3/c1-3-9-15-13(14)10-16-12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyDGZKRWKXFDTRKH-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.58
Rot. Bonds6

About propyl 2-(4-ethylphenoxy)acetate

propyl 2-(4-ethylphenoxy)acetate (PubChem CID 78907907) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is propyl 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Namepropyl 2-(4-ethylphenoxy)acetate
PubChem CID78907907
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Namepropyl 2-(4-ethylphenoxy)acetate
SMILESCCCOC(=O)COc1ccc(CC)cc1
InChIInChI=1S/C13H18O3/c1-3-9-15-13(14)10-16-12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyDGZKRWKXFDTRKH-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate
CID 14856730
2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate
CID 30046988
propyl 2-(3-ethylphenoxy)acetate
CID 71628037
butyl 2-[4-(hydroxymethyl)phenoxy]acetate
CID 54941444
propyl 2-[4-[4-(2-oxo-2-propoxyethoxy)phenyl]sulfonylphenoxy]acetate
CID 4149665
propyl 2-(4-formylphenoxy)acetate
CID 17245126
propyl 2-(4-ethenylphenoxy)acetate
CID 23504150
propyl 2-(4-tributylstannylphenoxy)acetate
CID 22503207
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate
CID 39415083
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272649
1-(4-ethylphenoxy)propan-2-one
CID 21325379
2-(4-ethylphenoxy)-N-methylacetohydrazide
CID 116820497

Frequently Asked Questions

What is the IUPAC name of propyl 2-(4-ethylphenoxy)acetate?
The IUPAC name of propyl 2-(4-ethylphenoxy)acetate (CID 78907907) is propyl 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for propyl 2-(4-ethylphenoxy)acetate?
The canonical SMILES for propyl 2-(4-ethylphenoxy)acetate is CCCOC(=O)COc1ccc(CC)cc1.
What is the InChIKey of propyl 2-(4-ethylphenoxy)acetate?
The InChIKey is DGZKRWKXFDTRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-3-9-15-13(14)10-16-12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of propyl 2-(4-ethylphenoxy)acetate?
propyl 2-(4-ethylphenoxy)acetate has a molecular weight of 222.28 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 78907907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).