5-phenylpentanoic acid

C11H14O2 — CID 16757

IUPAC5-phenylpentanoic acid
SMILESO=C(O)CCCCc1ccccc1
InChIInChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
InChIKeyBYHDDXPKOZIZRV-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.48
Rot. Bonds5

About 5-phenylpentanoic acid

5-phenylpentanoic acid (PubChem CID 16757) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-phenylpentanoic acid.

Molecular Properties

Compound Name5-phenylpentanoic acid
PubChem CID16757
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name5-phenylpentanoic acid
SMILESO=C(O)CCCCc1ccccc1
InChIInChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
InChIKeyBYHDDXPKOZIZRV-UHFFFAOYSA-N
XLogP2.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Phenylpyruvic acid
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Benzenepropanoic acid
CID 107
Felbinac
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Dexibuprofen
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2-Phenylpropionic acid
CID 10296
Sodium Phenylbutyrate
CID 5258
Loxoprofen
CID 3965
Methyl phenylacetate
CID 7559
Ethyl phenylacetate
CID 7590

Frequently Asked Questions

What is the IUPAC name of 5-phenylpentanoic acid?
The IUPAC name of 5-phenylpentanoic acid (CID 16757) is 5-phenylpentanoic acid.
What is the SMILES notation for 5-phenylpentanoic acid?
The canonical SMILES for 5-phenylpentanoic acid is O=C(O)CCCCc1ccccc1.
What is the InChIKey of 5-phenylpentanoic acid?
The InChIKey is BYHDDXPKOZIZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13).
What are the key properties of 5-phenylpentanoic acid?
5-phenylpentanoic acid has a molecular weight of 178.23 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpentanoic acid is sourced from PubChem (CID 16757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).