4-oxo-4-(4-phenylphenyl)butanoic acid

C16H14O3 — CID 3335

IUPAC4-oxo-4-(4-phenylphenyl)butanoic acid
SMILESO=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
InChIKeyZPAKPRAICRBAOD-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.40
Rot. Bonds5

About 4-oxo-4-(4-phenylphenyl)butanoic acid

4-oxo-4-(4-phenylphenyl)butanoic acid (PubChem CID 3335) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-oxo-4-(4-phenylphenyl)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(4-phenylphenyl)butanoic acid
PubChem CID3335
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name4-oxo-4-(4-phenylphenyl)butanoic acid
SMILESO=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
InChIKeyZPAKPRAICRBAOD-UHFFFAOYSA-N
XLogP3.40
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ketoprofen
CID 3825
Felbinac
CID 3332
Dexketoprofen
CID 667550
(1,1'-Biphenyl)-4-carboxylic acid
CID 66724
Benzoic acid, 2-((1,1'-biphenyl)-4-ylcarbonyl)-
CID 39302
Pelubiprofen
CID 5282203
2-Benzoylbenzoic Acid
CID 6813
3-Benzoylpropionic acid
CID 72871
(3-Benzoylphenyl)acetic acid
CID 30931
(1,1'-Biphenyl)-4,4'-dicarboxylic acid
CID 13084
Bucloxic Acid
CID 93159
3-(4-Fluorobenzoyl)propionic acid
CID 101359

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(4-phenylphenyl)butanoic acid?
The IUPAC name of 4-oxo-4-(4-phenylphenyl)butanoic acid (CID 3335) is 4-oxo-4-(4-phenylphenyl)butanoic acid.
What is the SMILES notation for 4-oxo-4-(4-phenylphenyl)butanoic acid?
The canonical SMILES for 4-oxo-4-(4-phenylphenyl)butanoic acid is O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-oxo-4-(4-phenylphenyl)butanoic acid?
The InChIKey is ZPAKPRAICRBAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19).
What are the key properties of 4-oxo-4-(4-phenylphenyl)butanoic acid?
4-oxo-4-(4-phenylphenyl)butanoic acid has a molecular weight of 254.29 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(4-phenylphenyl)butanoic acid is sourced from PubChem (CID 3335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).