2-[2-(2-oxopropyl)phenoxy]acetic acid

C11H12O4 — CID 786429

IUPAC2-[2-(2-oxopropyl)phenoxy]acetic acid
SMILESCC(=O)Cc1ccccc1OCC(=O)O
InChIInChI=1S/C11H12O4/c1-8(12)6-9-4-2-3-5-10(9)15-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyJNEYTRRUROUDSN-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.28
Rot. Bonds5

About 2-[2-(2-oxopropyl)phenoxy]acetic acid

2-[2-(2-oxopropyl)phenoxy]acetic acid (PubChem CID 786429) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-[2-(2-oxopropyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-oxopropyl)phenoxy]acetic acid
PubChem CID786429
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-[2-(2-oxopropyl)phenoxy]acetic acid
SMILESCC(=O)Cc1ccccc1OCC(=O)O
InChIInChI=1S/C11H12O4/c1-8(12)6-9-4-2-3-5-10(9)15-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyJNEYTRRUROUDSN-UHFFFAOYSA-N
XLogP1.28
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxopropyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-(2-oxopropyl)phenoxy]acetic acid (CID 786429) is 2-[2-(2-oxopropyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-oxopropyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(2-oxopropyl)phenoxy]acetic acid is CC(=O)Cc1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-(2-oxopropyl)phenoxy]acetic acid?
The InChIKey is JNEYTRRUROUDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-8(12)6-9-4-2-3-5-10(9)15-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14).
What are the key properties of 2-[2-(2-oxopropyl)phenoxy]acetic acid?
2-[2-(2-oxopropyl)phenoxy]acetic acid has a molecular weight of 208.21 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxopropyl)phenoxy]acetic acid is sourced from PubChem (CID 786429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).