potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride

C10H12ClKO3 — CID 173089242

IUPACpotassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
SMILESCc1cc(Cl)ccc1OC(C)C(=O)O.[H-].[K+]
InChIInChI=1S/C10H11ClO3.K.H/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;-1
InChIKeyDPWHJOALUZOPGF-UHFFFAOYSA-N
MW254.75 g/mol
LogP-0.38
Rot. Bonds3

About potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride

potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride (PubChem CID 173089242) has the molecular formula C10H12ClKO3 and a molecular weight of 254.75 g/mol. Its IUPAC name is potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride.

Molecular Properties

Compound Namepotassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
PubChem CID173089242
Molecular FormulaC10H12ClKO3
Molecular Weight254.75 g/mol
Exact Mass254.01
IUPAC Namepotassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
SMILESCc1cc(Cl)ccc1OC(C)C(=O)O.[H-].[K+]
InChIInChI=1S/C10H11ClO3.K.H/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;-1
InChIKeyDPWHJOALUZOPGF-UHFFFAOYSA-N
XLogP-0.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
deuterio 2-(4-chloro-2-methylphenoxy)propanoate
CID 138402743
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
magnesium 2-(4-chloro-2-methylphenoxy)propanoate
CID 3015469
silver 2-(4-chloro-2-methylphenoxy)propanoate
CID 159374352
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
4-(4-chloro-2-methylphenoxy)butanoic acid;2-(2,4-dichlorophenoxy)propanoic acid
CID 67631738
2-(4-chloro-2-methylphenoxy)propanoic acid;methyl(trioctyl)azanium;chloride
CID 67127245
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
(2S)-2-(4-bromo-2-methylphenoxy)propanoic acid
CID 42316822
2-(4-iodo-2-methylphenoxy)propanoic acid
CID 152974342
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976

Frequently Asked Questions

What is the IUPAC name of potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride?
The IUPAC name of potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride (CID 173089242) is potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride.
What is the SMILES notation for potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride?
The canonical SMILES for potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride is Cc1cc(Cl)ccc1OC(C)C(=O)O.[H-].[K+].
What is the InChIKey of potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride?
The InChIKey is DPWHJOALUZOPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3.K.H/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;-1.
What are the key properties of potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride?
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride has a molecular weight of 254.75 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride is sourced from PubChem (CID 173089242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).