5-(4-methylphenyl)pentanoic acid

C12H16O2 — CID 15497666

IUPAC5-(4-methylphenyl)pentanoic acid
SMILESCc1ccc(CCCCC(=O)O)cc1
InChIInChI=1S/C12H16O2/c1-10-6-8-11(9-7-10)4-2-3-5-12(13)14/h6-9H,2-5H2,1H3,(H,13,14)
InChIKeyUYONRHRQXUQJJZ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.79
Rot. Bonds5

About 5-(4-methylphenyl)pentanoic acid

5-(4-methylphenyl)pentanoic acid (PubChem CID 15497666) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-(4-methylphenyl)pentanoic acid.

Molecular Properties

Compound Name5-(4-methylphenyl)pentanoic acid
PubChem CID15497666
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name5-(4-methylphenyl)pentanoic acid
SMILESCc1ccc(CCCCC(=O)O)cc1
InChIInChI=1S/C12H16O2/c1-10-6-8-11(9-7-10)4-2-3-5-12(13)14/h6-9H,2-5H2,1H3,(H,13,14)
InChIKeyUYONRHRQXUQJJZ-UHFFFAOYSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.79
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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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)pentanoic acid?
The IUPAC name of 5-(4-methylphenyl)pentanoic acid (CID 15497666) is 5-(4-methylphenyl)pentanoic acid.
What is the SMILES notation for 5-(4-methylphenyl)pentanoic acid?
The canonical SMILES for 5-(4-methylphenyl)pentanoic acid is Cc1ccc(CCCCC(=O)O)cc1.
What is the InChIKey of 5-(4-methylphenyl)pentanoic acid?
The InChIKey is UYONRHRQXUQJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-10-6-8-11(9-7-10)4-2-3-5-12(13)14/h6-9H,2-5H2,1H3,(H,13,14).
What are the key properties of 5-(4-methylphenyl)pentanoic acid?
5-(4-methylphenyl)pentanoic acid has a molecular weight of 192.26 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)pentanoic acid is sourced from PubChem (CID 15497666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).