3-oxo-5-(4-phenylphenyl)pentanoic acid

C17H16O3 — CID 45483008

IUPAC3-oxo-5-(4-phenylphenyl)pentanoic acid
SMILESO=C(O)CC(=O)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2,(H,19,20)
InChIKeyHDXADAWBGFXTBW-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.33
Rot. Bonds6

About 3-oxo-5-(4-phenylphenyl)pentanoic acid

3-oxo-5-(4-phenylphenyl)pentanoic acid (PubChem CID 45483008) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-oxo-5-(4-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name3-oxo-5-(4-phenylphenyl)pentanoic acid
PubChem CID45483008
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name3-oxo-5-(4-phenylphenyl)pentanoic acid
SMILESO=C(O)CC(=O)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2,(H,19,20)
InChIKeyHDXADAWBGFXTBW-UHFFFAOYSA-N
XLogP3.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-oxo-5-(4-phenylphenyl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Felbinac
CID 3332
Fenbufen
CID 3335
Loxoprofen
CID 3965
Seratrodast
CID 2449
Benzenepentanoic acid
CID 16757
Diphenylacetic Acid
CID 8333
Pelubiprofen
CID 5282203
Diphenylpropionic acid
CID 64798
Fencibutirol
CID 71170
Benzylmalonic acid
CID 12031
3-(4-tert-Butylphenyl)-2-methylpropanoic acid
CID 106694
3-(P-Tolyl)Propionic Acid
CID 73927

Frequently Asked Questions

What is the IUPAC name of 3-oxo-5-(4-phenylphenyl)pentanoic acid?
The IUPAC name of 3-oxo-5-(4-phenylphenyl)pentanoic acid (CID 45483008) is 3-oxo-5-(4-phenylphenyl)pentanoic acid.
What is the SMILES notation for 3-oxo-5-(4-phenylphenyl)pentanoic acid?
The canonical SMILES for 3-oxo-5-(4-phenylphenyl)pentanoic acid is O=C(O)CC(=O)CCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-oxo-5-(4-phenylphenyl)pentanoic acid?
The InChIKey is HDXADAWBGFXTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2,(H,19,20).
What are the key properties of 3-oxo-5-(4-phenylphenyl)pentanoic acid?
3-oxo-5-(4-phenylphenyl)pentanoic acid has a molecular weight of 268.31 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-5-(4-phenylphenyl)pentanoic acid is sourced from PubChem (CID 45483008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).