sodium 2-(2-methylphenoxy)acetate

C9H9NaO3 — CID 23664336

IUPACsodium 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)[O-].[Na+]
InChIInChI=1S/C9H10O3.Na/c1-7-4-2-3-5-8(7)12-6-9(10)11;/h2-5H,6H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyHKNMVNAPCMXVTR-UHFFFAOYSA-M
MW188.16 g/mol
LogP-2.87
Rot. Bonds3

About sodium 2-(2-methylphenoxy)acetate

sodium 2-(2-methylphenoxy)acetate (PubChem CID 23664336) has the molecular formula C9H9NaO3 and a molecular weight of 188.16 g/mol. Its IUPAC name is sodium 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Namesodium 2-(2-methylphenoxy)acetate
PubChem CID23664336
Molecular FormulaC9H9NaO3
Molecular Weight188.16 g/mol
Exact Mass188.04
IUPAC Namesodium 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)[O-].[Na+]
InChIInChI=1S/C9H10O3.Na/c1-7-4-2-3-5-8(7)12-6-9(10)11;/h2-5H,6H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyHKNMVNAPCMXVTR-UHFFFAOYSA-M
XLogP-2.87
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 5-2.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

lithium 2-(2-methylphenoxy)acetate
CID 19205696
sodium 2-(2-acetylphenoxy)acetate
CID 23600043
4-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 2050274
(2S)-2-[[2-(2-methylphenoxy)acetyl]amino]propanoate
CID 9157045
(2R)-2-[[2-(2-methylphenoxy)acetyl]amino]propanoate
CID 9157049
(Z)-1-(2-methylphenoxy)but-2-en-2-amine
CID 167112053
lithium 2-(2-tert-butylphenoxy)acetate
CID 19205698
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656
(2S)-3-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate
CID 9157397
2-[4-[2-[4-(carboxylatomethoxy)-3-methylphenyl]propan-2-yl]-2-methylphenoxy]acetate
CID 4228987
[4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate
CID 2180640

Frequently Asked Questions

What is the IUPAC name of sodium 2-(2-methylphenoxy)acetate?
The IUPAC name of sodium 2-(2-methylphenoxy)acetate (CID 23664336) is sodium 2-(2-methylphenoxy)acetate.
What is the SMILES notation for sodium 2-(2-methylphenoxy)acetate?
The canonical SMILES for sodium 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(2-methylphenoxy)acetate?
The InChIKey is HKNMVNAPCMXVTR-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10O3.Na/c1-7-4-2-3-5-8(7)12-6-9(10)11;/h2-5H,6H2,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of sodium 2-(2-methylphenoxy)acetate?
sodium 2-(2-methylphenoxy)acetate has a molecular weight of 188.16 g/mol, XLogP of -2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 23664336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).