5-(2,5-Dimethylphenoxy)pentanoic acid

• Catalog Number: ACMA00002327
• Category: Ethers
• Molecular Weight: 222.28
• Molecular Formula: C₁₃H₁₇NO₅
• Hazard Statements: H317-H412
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C13H18O3.

What is the molecular weight of the compound?

The molecular weight of the compound is 222.28 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 5-(2,5-dimethylphenoxy)pentanoic acid.

What is the InChI code of the compound?

The InChI code of the compound is InChI=1S/C13H18O3/c1-10-6-7-11(2)12(9-10)16-8-4-3-5-13(14)15/h6-7,9H,3-5,8H2,1-2H3,(H,14,15).

What is the InChIKey of the compound?

The InChIKey of the compound is GDELSTPAOVZJKB-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC1=CC(=C(C=C1)C)OCCCCC(=O)O.

What is the ChEMBL ID of the compound?

The ChEMBL ID of the compound is CHEMBL4859323.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.8.

How many hydrogen bond donor count does the compound have?

The compound has 1 hydrogen bond donor count.

How many rotatable bond count does the compound have?

The compound has 6 rotatable bond count.