potassium 2-[2,3-dichloro-4-(2-hydroxybenzoyl)phenoxy]acetate

C15H9Cl2KO5 — CID 70599446

IUPACpotassium 2-[2,3-dichloro-4-(2-hydroxybenzoyl)phenoxy]acetate
SMILESO=C([O-])COc1ccc(C(=O)c2ccccc2O)c(Cl)c1Cl.[K+]
InChIInChI=1S/C15H10Cl2O5.K/c16-13-9(15(21)8-3-1-2-4-10(8)18)5-6-11(14(13)17)22-7-12(19)20;/h1-6,18H,7H2,(H,19,20);/q;+1/p-1
InChIKeyOPLPHJDAPJGQEN-UHFFFAOYSA-M
MW379.24 g/mol
LogP-0.94
Rot. Bonds5

About potassium 2-[2,3-dichloro-4-(2-hydroxybenzoyl)phenoxy]acetate

potassium 2-[2,3-dichloro-4-(2-hydroxybenzoyl)phenoxy]acetate (PubChem CID 70599446) has the molecular formula C15H9Cl2KO5 and a molecular weight of 379.24 g/mol. Its IUPAC name is potassium 2-[2,3-dichloro-4-(2-hydroxybenzoyl)phenoxy]acetate.

Molecular Properties

Compound Namepotassium 2-[2,3-dichloro-4-(2-hydroxybenzoyl)phenoxy]acetate
PubChem CID70599446
Molecular FormulaC15H9Cl2KO5
Molecular Weight379.24 g/mol
Exact Mass377.95
IUPAC Namepotassium 2-[2,3-dichloro-4-(2-hydroxybenzoyl)phenoxy]acetate
SMILESO=C([O-])COc1ccc(C(=O)c2ccccc2O)c(Cl)c1Cl.[K+]
InChIInChI=1S/C15H10Cl2O5.K/c16-13-9(15(21)8-3-1-2-4-10(8)18)5-6-11(14(13)17)22-7-12(19)20;/h1-6,18H,7H2,(H,19,20);/q;+1/p-1
InChIKeyOPLPHJDAPJGQEN-UHFFFAOYSA-M
XLogP-0.94
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium 2-[2,3-dichloro-4-(2-hydroxybenzoyl)phenoxy]acetate?
The IUPAC name of potassium 2-[2,3-dichloro-4-(2-hydroxybenzoyl)phenoxy]acetate (CID 70599446) is potassium 2-[2,3-dichloro-4-(2-hydroxybenzoyl)phenoxy]acetate.
What is the SMILES notation for potassium 2-[2,3-dichloro-4-(2-hydroxybenzoyl)phenoxy]acetate?
The canonical SMILES for potassium 2-[2,3-dichloro-4-(2-hydroxybenzoyl)phenoxy]acetate is O=C([O-])COc1ccc(C(=O)c2ccccc2O)c(Cl)c1Cl.[K+].
What is the InChIKey of potassium 2-[2,3-dichloro-4-(2-hydroxybenzoyl)phenoxy]acetate?
The InChIKey is OPLPHJDAPJGQEN-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H10Cl2O5.K/c16-13-9(15(21)8-3-1-2-4-10(8)18)5-6-11(14(13)17)22-7-12(19)20;/h1-6,18H,7H2,(H,19,20);/q;+1/p-1.
What are the key properties of potassium 2-[2,3-dichloro-4-(2-hydroxybenzoyl)phenoxy]acetate?
potassium 2-[2,3-dichloro-4-(2-hydroxybenzoyl)phenoxy]acetate has a molecular weight of 379.24 g/mol, XLogP of -0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[2,3-dichloro-4-(2-hydroxybenzoyl)phenoxy]acetate is sourced from PubChem (CID 70599446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).