3-(4-propanoylphenoxy)propanoic acid

C12H14O4 — CID 3050237

IUPAC3-(4-propanoylphenoxy)propanoic acid
SMILESCCC(=O)c1ccc(OCCC(=O)O)cc1
InChIInChI=1S/C12H14O4/c1-2-11(13)9-3-5-10(6-4-9)16-8-7-12(14)15/h3-6H,2,7-8H2,1H3,(H,14,15)
InChIKeyJZAFFXNUPACUTQ-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.13
Rot. Bonds6

About 3-(4-propanoylphenoxy)propanoic acid

3-(4-propanoylphenoxy)propanoic acid (PubChem CID 3050237) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-(4-propanoylphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(4-propanoylphenoxy)propanoic acid
PubChem CID3050237
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name3-(4-propanoylphenoxy)propanoic acid
SMILESCCC(=O)c1ccc(OCCC(=O)O)cc1
InChIInChI=1S/C12H14O4/c1-2-11(13)9-3-5-10(6-4-9)16-8-7-12(14)15/h3-6H,2,7-8H2,1H3,(H,14,15)
InChIKeyJZAFFXNUPACUTQ-UHFFFAOYSA-N
XLogP2.13
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-(4-propanoylphenoxy)propan-1-one
CID 116692107
2-amino-4-(4-propanoylphenoxy)but-1-en-1-one
CID 176536189
3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid
CID 75405754
1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-one
CID 112687937
2-[4-(2-carboxyethoxy)phenoxy]propanoic acid
CID 69292978
3-oxo-3-(4-propoxyphenyl)propanoic acid
CID 170886903
3-[4-[2-(4-chlorophenyl)acetyl]phenoxy]propanoic acid
CID 146594189
1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one
CID 82147379
1-(4-propanoylphenoxy)pentan-2-one
CID 62043613
(4-propanoylphenyl) 4-(2-methoxyethoxy)benzoate
CID 23012931
3-(4-propan-2-ylphenoxy)propanoic acid
CID 16777434
3-[4-[(4-butoxyphenyl)diazenyl]phenoxy]propanoic acid
CID 177145662

Frequently Asked Questions

What is the IUPAC name of 3-(4-propanoylphenoxy)propanoic acid?
The IUPAC name of 3-(4-propanoylphenoxy)propanoic acid (CID 3050237) is 3-(4-propanoylphenoxy)propanoic acid.
What is the SMILES notation for 3-(4-propanoylphenoxy)propanoic acid?
The canonical SMILES for 3-(4-propanoylphenoxy)propanoic acid is CCC(=O)c1ccc(OCCC(=O)O)cc1.
What is the InChIKey of 3-(4-propanoylphenoxy)propanoic acid?
The InChIKey is JZAFFXNUPACUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-2-11(13)9-3-5-10(6-4-9)16-8-7-12(14)15/h3-6H,2,7-8H2,1H3,(H,14,15).
What are the key properties of 3-(4-propanoylphenoxy)propanoic acid?
3-(4-propanoylphenoxy)propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propanoylphenoxy)propanoic acid is sourced from PubChem (CID 3050237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).