3-(4-ethylphenyl)propanoic acid

C11H14O2 — CID 2064039

IUPAC3-(4-ethylphenyl)propanoic acid
SMILESCCc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C11H14O2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
InChIKeyMUQCDEGKKWQCAO-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.27
Rot. Bonds4

About 3-(4-ethylphenyl)propanoic acid

3-(4-ethylphenyl)propanoic acid (PubChem CID 2064039) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-(4-ethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-ethylphenyl)propanoic acid
PubChem CID2064039
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3-(4-ethylphenyl)propanoic acid
SMILESCCc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C11H14O2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
InChIKeyMUQCDEGKKWQCAO-UHFFFAOYSA-N
XLogP2.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)propanoic acid?
The IUPAC name of 3-(4-ethylphenyl)propanoic acid (CID 2064039) is 3-(4-ethylphenyl)propanoic acid.
What is the SMILES notation for 3-(4-ethylphenyl)propanoic acid?
The canonical SMILES for 3-(4-ethylphenyl)propanoic acid is CCc1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-(4-ethylphenyl)propanoic acid?
The InChIKey is MUQCDEGKKWQCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13).
What are the key properties of 3-(4-ethylphenyl)propanoic acid?
3-(4-ethylphenyl)propanoic acid has a molecular weight of 178.23 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)propanoic acid is sourced from PubChem (CID 2064039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).