sodium 2-(4-methoxyphenoxy)propanoate

C10H11NaO4 — CID 23670520

IUPACsodium 2-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OC(C)C(=O)[O-])cc1.[Na+]
InChIInChI=1S/C10H12O4.Na/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9;/h3-7H,1-2H3,(H,11,12);/q;+1/p-1
InChIKeySKORRGYRKQDXRS-UHFFFAOYSA-M
MW218.18 g/mol
LogP-2.78
Rot. Bonds4

About sodium 2-(4-methoxyphenoxy)propanoate

sodium 2-(4-methoxyphenoxy)propanoate (PubChem CID 23670520) has the molecular formula C10H11NaO4 and a molecular weight of 218.18 g/mol. Its IUPAC name is sodium 2-(4-methoxyphenoxy)propanoate.

Molecular Properties

Compound Namesodium 2-(4-methoxyphenoxy)propanoate
PubChem CID23670520
Molecular FormulaC10H11NaO4
Molecular Weight218.18 g/mol
Exact Mass218.06
IUPAC Namesodium 2-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OC(C)C(=O)[O-])cc1.[Na+]
InChIInChI=1S/C10H12O4.Na/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9;/h3-7H,1-2H3,(H,11,12);/q;+1/p-1
InChIKeySKORRGYRKQDXRS-UHFFFAOYSA-M
XLogP-2.78
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 5-2.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(4-methoxyphenoxy)propanoate?
The IUPAC name of sodium 2-(4-methoxyphenoxy)propanoate (CID 23670520) is sodium 2-(4-methoxyphenoxy)propanoate.
What is the SMILES notation for sodium 2-(4-methoxyphenoxy)propanoate?
The canonical SMILES for sodium 2-(4-methoxyphenoxy)propanoate is COc1ccc(OC(C)C(=O)[O-])cc1.[Na+].
What is the InChIKey of sodium 2-(4-methoxyphenoxy)propanoate?
The InChIKey is SKORRGYRKQDXRS-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12O4.Na/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9;/h3-7H,1-2H3,(H,11,12);/q;+1/p-1.
What are the key properties of sodium 2-(4-methoxyphenoxy)propanoate?
sodium 2-(4-methoxyphenoxy)propanoate has a molecular weight of 218.18 g/mol, XLogP of -2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(4-methoxyphenoxy)propanoate is sourced from PubChem (CID 23670520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).