2-oxo-5-phenylpentanoic acid

C11H12O3 — CID 13294447

IUPAC2-oxo-5-phenylpentanoic acid
SMILESO=C(O)C(=O)CCCc1ccccc1
InChIInChI=1S/C11H12O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)
InChIKeyMJXXAPORLGKVLB-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.66
Rot. Bonds5

About 2-oxo-5-phenylpentanoic acid

2-oxo-5-phenylpentanoic acid (PubChem CID 13294447) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-oxo-5-phenylpentanoic acid.

Molecular Properties

Compound Name2-oxo-5-phenylpentanoic acid
PubChem CID13294447
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-oxo-5-phenylpentanoic acid
SMILESO=C(O)C(=O)CCCc1ccccc1
InChIInChI=1S/C11H12O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)
InChIKeyMJXXAPORLGKVLB-UHFFFAOYSA-N
XLogP1.66
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-phenylpentanoic acid?
The IUPAC name of 2-oxo-5-phenylpentanoic acid (CID 13294447) is 2-oxo-5-phenylpentanoic acid.
What is the SMILES notation for 2-oxo-5-phenylpentanoic acid?
The canonical SMILES for 2-oxo-5-phenylpentanoic acid is O=C(O)C(=O)CCCc1ccccc1.
What is the InChIKey of 2-oxo-5-phenylpentanoic acid?
The InChIKey is MJXXAPORLGKVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14).
What are the key properties of 2-oxo-5-phenylpentanoic acid?
2-oxo-5-phenylpentanoic acid has a molecular weight of 192.21 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-phenylpentanoic acid is sourced from PubChem (CID 13294447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).