3-(2-ethoxyphenoxy)propanoic acid

C11H14O4 — CID 2389993

IUPAC3-(2-ethoxyphenoxy)propanoic acid
SMILESCCOc1ccccc1OCCC(=O)O
InChIInChI=1S/C11H14O4/c1-2-14-9-5-3-4-6-10(9)15-8-7-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
InChIKeyJIRXOYJJNCNFGX-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.94
Rot. Bonds6

About 3-(2-ethoxyphenoxy)propanoic acid

3-(2-ethoxyphenoxy)propanoic acid (PubChem CID 2389993) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(2-ethoxyphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(2-ethoxyphenoxy)propanoic acid
PubChem CID2389993
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name3-(2-ethoxyphenoxy)propanoic acid
SMILESCCOc1ccccc1OCCC(=O)O
InChIInChI=1S/C11H14O4/c1-2-14-9-5-3-4-6-10(9)15-8-7-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
InChIKeyJIRXOYJJNCNFGX-UHFFFAOYSA-N
XLogP1.94
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenoxy)propanoic acid?
The IUPAC name of 3-(2-ethoxyphenoxy)propanoic acid (CID 2389993) is 3-(2-ethoxyphenoxy)propanoic acid.
What is the SMILES notation for 3-(2-ethoxyphenoxy)propanoic acid?
The canonical SMILES for 3-(2-ethoxyphenoxy)propanoic acid is CCOc1ccccc1OCCC(=O)O.
What is the InChIKey of 3-(2-ethoxyphenoxy)propanoic acid?
The InChIKey is JIRXOYJJNCNFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-14-9-5-3-4-6-10(9)15-8-7-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13).
What are the key properties of 3-(2-ethoxyphenoxy)propanoic acid?
3-(2-ethoxyphenoxy)propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenoxy)propanoic acid is sourced from PubChem (CID 2389993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).