sodium 2-(2-acetylphenoxy)acetate

C10H9NaO4 — CID 23600043

IUPACsodium 2-(2-acetylphenoxy)acetate
SMILESCC(=O)c1ccccc1OCC(=O)[O-].[Na+]
InChIInChI=1S/C10H10O4.Na/c1-7(11)8-4-2-3-5-9(8)14-6-10(12)13;/h2-5H,6H2,1H3,(H,12,13);/q;+1/p-1
InChIKeyOYSLCTRNCZDHPZ-UHFFFAOYSA-M
MW216.17 g/mol
LogP-2.98
Rot. Bonds4

About sodium 2-(2-acetylphenoxy)acetate

sodium 2-(2-acetylphenoxy)acetate (PubChem CID 23600043) has the molecular formula C10H9NaO4 and a molecular weight of 216.17 g/mol. Its IUPAC name is sodium 2-(2-acetylphenoxy)acetate.

Molecular Properties

Compound Namesodium 2-(2-acetylphenoxy)acetate
PubChem CID23600043
Molecular FormulaC10H9NaO4
Molecular Weight216.17 g/mol
Exact Mass216.04
IUPAC Namesodium 2-(2-acetylphenoxy)acetate
SMILESCC(=O)c1ccccc1OCC(=O)[O-].[Na+]
InChIInChI=1S/C10H10O4.Na/c1-7(11)8-4-2-3-5-9(8)14-6-10(12)13;/h2-5H,6H2,1H3,(H,12,13);/q;+1/p-1
InChIKeyOYSLCTRNCZDHPZ-UHFFFAOYSA-M
XLogP-2.98
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 5-2.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 2-(2-methylphenoxy)acetate
CID 23664336
1-[2-[[2-[(2-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 13256788
2-(2-acetylphenoxy)-N-(methylcarbamoyl)acetamide
CID 112781556
lithium 2-(2-methylphenoxy)acetate
CID 19205696
propyl 2-(2-acetylphenoxy)acetate
CID 82312019
ethyl N-[2-(2-acetylphenoxy)acetyl]carbamate
CID 7859274
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575
2-(2-acetylphenoxy)-N,N-dipropylacetamide
CID 82312013
sodium [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury
CID 175845123
1-[2-(2-hydroxy-2-methylbutoxy)phenyl]ethanone
CID 114493911
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide
CID 24701029

Frequently Asked Questions

What is the IUPAC name of sodium 2-(2-acetylphenoxy)acetate?
The IUPAC name of sodium 2-(2-acetylphenoxy)acetate (CID 23600043) is sodium 2-(2-acetylphenoxy)acetate.
What is the SMILES notation for sodium 2-(2-acetylphenoxy)acetate?
The canonical SMILES for sodium 2-(2-acetylphenoxy)acetate is CC(=O)c1ccccc1OCC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(2-acetylphenoxy)acetate?
The InChIKey is OYSLCTRNCZDHPZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10O4.Na/c1-7(11)8-4-2-3-5-9(8)14-6-10(12)13;/h2-5H,6H2,1H3,(H,12,13);/q;+1/p-1.
What are the key properties of sodium 2-(2-acetylphenoxy)acetate?
sodium 2-(2-acetylphenoxy)acetate has a molecular weight of 216.17 g/mol, XLogP of -2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2-acetylphenoxy)acetate is sourced from PubChem (CID 23600043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).