potassium 2-(4-chloro-2-methylphenoxy)propanoate

C10H10ClKO3 — CID 23684575

IUPACpotassium 2-(4-chloro-2-methylphenoxy)propanoate
SMILESCc1cc(Cl)ccc1OC(C)C(=O)[O-].[K+]
InChIInChI=1S/C10H11ClO3.K/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;/h3-5,7H,1-2H3,(H,12,13);/q;+1/p-1
InChIKeyOFCQYQOZASISIU-UHFFFAOYSA-M
MW252.74 g/mol
LogP-1.83
Rot. Bonds3

About potassium 2-(4-chloro-2-methylphenoxy)propanoate

potassium 2-(4-chloro-2-methylphenoxy)propanoate (PubChem CID 23684575) has the molecular formula C10H10ClKO3 and a molecular weight of 252.74 g/mol. Its IUPAC name is potassium 2-(4-chloro-2-methylphenoxy)propanoate.

Molecular Properties

Compound Namepotassium 2-(4-chloro-2-methylphenoxy)propanoate
PubChem CID23684575
Molecular FormulaC10H10ClKO3
Molecular Weight252.74 g/mol
Exact Mass252.00
IUPAC Namepotassium 2-(4-chloro-2-methylphenoxy)propanoate
SMILESCc1cc(Cl)ccc1OC(C)C(=O)[O-].[K+]
InChIInChI=1S/C10H11ClO3.K/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;/h3-5,7H,1-2H3,(H,12,13);/q;+1/p-1
InChIKeyOFCQYQOZASISIU-UHFFFAOYSA-M
XLogP-1.83
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 5-1.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 2-(4-chloro-2-methylphenoxy)propanoate?
The IUPAC name of potassium 2-(4-chloro-2-methylphenoxy)propanoate (CID 23684575) is potassium 2-(4-chloro-2-methylphenoxy)propanoate.
What is the SMILES notation for potassium 2-(4-chloro-2-methylphenoxy)propanoate?
The canonical SMILES for potassium 2-(4-chloro-2-methylphenoxy)propanoate is Cc1cc(Cl)ccc1OC(C)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-(4-chloro-2-methylphenoxy)propanoate?
The InChIKey is OFCQYQOZASISIU-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11ClO3.K/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;/h3-5,7H,1-2H3,(H,12,13);/q;+1/p-1.
What are the key properties of potassium 2-(4-chloro-2-methylphenoxy)propanoate?
potassium 2-(4-chloro-2-methylphenoxy)propanoate has a molecular weight of 252.74 g/mol, XLogP of -1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(4-chloro-2-methylphenoxy)propanoate is sourced from PubChem (CID 23684575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).