4-(4-acetylphenyl)butanoic acid

C12H14O3 — CID 885285

IUPAC4-(4-acetylphenyl)butanoic acid
SMILESCC(=O)c1ccc(CCCC(=O)O)cc1
InChIInChI=1S/C12H14O3/c1-9(13)11-7-5-10(6-8-11)3-2-4-12(14)15/h5-8H,2-4H2,1H3,(H,14,15)
InChIKeyBLKZSCZBOQMBKO-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.30
Rot. Bonds5

About 4-(4-acetylphenyl)butanoic acid

4-(4-acetylphenyl)butanoic acid (PubChem CID 885285) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-(4-acetylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(4-acetylphenyl)butanoic acid
PubChem CID885285
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name4-(4-acetylphenyl)butanoic acid
SMILESCC(=O)c1ccc(CCCC(=O)O)cc1
InChIInChI=1S/C12H14O3/c1-9(13)11-7-5-10(6-8-11)3-2-4-12(14)15/h5-8H,2-4H2,1H3,(H,14,15)
InChIKeyBLKZSCZBOQMBKO-UHFFFAOYSA-N
XLogP2.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)butanoic acid?
The IUPAC name of 4-(4-acetylphenyl)butanoic acid (CID 885285) is 4-(4-acetylphenyl)butanoic acid.
What is the SMILES notation for 4-(4-acetylphenyl)butanoic acid?
The canonical SMILES for 4-(4-acetylphenyl)butanoic acid is CC(=O)c1ccc(CCCC(=O)O)cc1.
What is the InChIKey of 4-(4-acetylphenyl)butanoic acid?
The InChIKey is BLKZSCZBOQMBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-9(13)11-7-5-10(6-8-11)3-2-4-12(14)15/h5-8H,2-4H2,1H3,(H,14,15).
What are the key properties of 4-(4-acetylphenyl)butanoic acid?
4-(4-acetylphenyl)butanoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)butanoic acid is sourced from PubChem (CID 885285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).