3-(2-ethoxyphenyl)propanoic acid

C11H14O3 — CID 2747694

IUPAC3-(2-ethoxyphenyl)propanoic acid
SMILESCCOc1ccccc1CCC(=O)O
InChIInChI=1S/C11H14O3/c1-2-14-10-6-4-3-5-9(10)7-8-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
InChIKeyIBGXZMNEERGARC-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.10
Rot. Bonds5

About 3-(2-ethoxyphenyl)propanoic acid

3-(2-ethoxyphenyl)propanoic acid (PubChem CID 2747694) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)propanoic acid
PubChem CID2747694
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-(2-ethoxyphenyl)propanoic acid
SMILESCCOc1ccccc1CCC(=O)O
InChIInChI=1S/C11H14O3/c1-2-14-10-6-4-3-5-9(10)7-8-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
InChIKeyIBGXZMNEERGARC-UHFFFAOYSA-N
XLogP2.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)propanoic acid?
The IUPAC name of 3-(2-ethoxyphenyl)propanoic acid (CID 2747694) is 3-(2-ethoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2-ethoxyphenyl)propanoic acid?
The canonical SMILES for 3-(2-ethoxyphenyl)propanoic acid is CCOc1ccccc1CCC(=O)O.
What is the InChIKey of 3-(2-ethoxyphenyl)propanoic acid?
The InChIKey is IBGXZMNEERGARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-14-10-6-4-3-5-9(10)7-8-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13).
What are the key properties of 3-(2-ethoxyphenyl)propanoic acid?
3-(2-ethoxyphenyl)propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)propanoic acid is sourced from PubChem (CID 2747694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).