3-(2,6-dimethylphenoxy)propanoic acid

C11H14O3 — CID 16772068

IUPAC3-(2,6-dimethylphenoxy)propanoic acid
SMILESCc1cccc(C)c1OCCC(=O)O
InChIInChI=1S/C11H14O3/c1-8-4-3-5-9(2)11(8)14-7-6-10(12)13/h3-5H,6-7H2,1-2H3,(H,12,13)
InChIKeyYRAOLJXHKFKYKF-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.16
Rot. Bonds4

About 3-(2,6-dimethylphenoxy)propanoic acid

3-(2,6-dimethylphenoxy)propanoic acid (PubChem CID 16772068) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(2,6-dimethylphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(2,6-dimethylphenoxy)propanoic acid
PubChem CID16772068
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-(2,6-dimethylphenoxy)propanoic acid
SMILESCc1cccc(C)c1OCCC(=O)O
InChIInChI=1S/C11H14O3/c1-8-4-3-5-9(2)11(8)14-7-6-10(12)13/h3-5H,6-7H2,1-2H3,(H,12,13)
InChIKeyYRAOLJXHKFKYKF-UHFFFAOYSA-N
XLogP2.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenoxy)propanoic acid?
The IUPAC name of 3-(2,6-dimethylphenoxy)propanoic acid (CID 16772068) is 3-(2,6-dimethylphenoxy)propanoic acid.
What is the SMILES notation for 3-(2,6-dimethylphenoxy)propanoic acid?
The canonical SMILES for 3-(2,6-dimethylphenoxy)propanoic acid is Cc1cccc(C)c1OCCC(=O)O.
What is the InChIKey of 3-(2,6-dimethylphenoxy)propanoic acid?
The InChIKey is YRAOLJXHKFKYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-4-3-5-9(2)11(8)14-7-6-10(12)13/h3-5H,6-7H2,1-2H3,(H,12,13).
What are the key properties of 3-(2,6-dimethylphenoxy)propanoic acid?
3-(2,6-dimethylphenoxy)propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenoxy)propanoic acid is sourced from PubChem (CID 16772068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).