potassium 3,6-dichloro-2-methoxybenzoate

C8H5Cl2KO3 — CID 23679265

IUPACpotassium 3,6-dichloro-2-methoxybenzoate
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)[O-].[K+]
InChIInChI=1S/C8H6Cl2O3.K/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;/h2-3H,1H3,(H,11,12);/q;+1/p-1
InChIKeyRVJMEWSAFHIEJX-UHFFFAOYSA-M
MW259.13 g/mol
LogP-1.63
Rot. Bonds2

About potassium 3,6-dichloro-2-methoxybenzoate

potassium 3,6-dichloro-2-methoxybenzoate (PubChem CID 23679265) has the molecular formula C8H5Cl2KO3 and a molecular weight of 259.13 g/mol. Its IUPAC name is potassium 3,6-dichloro-2-methoxybenzoate.

Molecular Properties

Compound Namepotassium 3,6-dichloro-2-methoxybenzoate
PubChem CID23679265
Molecular FormulaC8H5Cl2KO3
Molecular Weight259.13 g/mol
Exact Mass257.93
IUPAC Namepotassium 3,6-dichloro-2-methoxybenzoate
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)[O-].[K+]
InChIInChI=1S/C8H6Cl2O3.K/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;/h2-3H,1H3,(H,11,12);/q;+1/p-1
InChIKeyRVJMEWSAFHIEJX-UHFFFAOYSA-M
XLogP-1.63
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 5-1.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 3,6-dichloro-2-methoxybenzoate?
The IUPAC name of potassium 3,6-dichloro-2-methoxybenzoate (CID 23679265) is potassium 3,6-dichloro-2-methoxybenzoate.
What is the SMILES notation for potassium 3,6-dichloro-2-methoxybenzoate?
The canonical SMILES for potassium 3,6-dichloro-2-methoxybenzoate is COc1c(Cl)ccc(Cl)c1C(=O)[O-].[K+].
What is the InChIKey of potassium 3,6-dichloro-2-methoxybenzoate?
The InChIKey is RVJMEWSAFHIEJX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6Cl2O3.K/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;/h2-3H,1H3,(H,11,12);/q;+1/p-1.
What are the key properties of potassium 3,6-dichloro-2-methoxybenzoate?
potassium 3,6-dichloro-2-methoxybenzoate has a molecular weight of 259.13 g/mol, XLogP of -1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3,6-dichloro-2-methoxybenzoate is sourced from PubChem (CID 23679265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).