2-(4-propanoylphenoxy)acetic acid

C11H12O4 — CID 2306731

IUPAC2-(4-propanoylphenoxy)acetic acid
SMILESCCC(=O)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C11H12O4/c1-2-10(12)8-3-5-9(6-4-8)15-7-11(13)14/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyFBTYYZZUMRUNGH-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.74
Rot. Bonds5

About 2-(4-propanoylphenoxy)acetic acid

2-(4-propanoylphenoxy)acetic acid (PubChem CID 2306731) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-(4-propanoylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-propanoylphenoxy)acetic acid
PubChem CID2306731
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-(4-propanoylphenoxy)acetic acid
SMILESCCC(=O)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C11H12O4/c1-2-10(12)8-3-5-9(6-4-8)15-7-11(13)14/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyFBTYYZZUMRUNGH-UHFFFAOYSA-N
XLogP1.74
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propanoylphenoxy)acetic acid?
The IUPAC name of 2-(4-propanoylphenoxy)acetic acid (CID 2306731) is 2-(4-propanoylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-propanoylphenoxy)acetic acid?
The canonical SMILES for 2-(4-propanoylphenoxy)acetic acid is CCC(=O)c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-(4-propanoylphenoxy)acetic acid?
The InChIKey is FBTYYZZUMRUNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-2-10(12)8-3-5-9(6-4-8)15-7-11(13)14/h3-6H,2,7H2,1H3,(H,13,14).
What are the key properties of 2-(4-propanoylphenoxy)acetic acid?
2-(4-propanoylphenoxy)acetic acid has a molecular weight of 208.21 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propanoylphenoxy)acetic acid is sourced from PubChem (CID 2306731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).