dipotassium;5-[(3-carboxylato-4-hydroxyphenyl)methyl]-2-hydroxybenzoate

C15H10K2O6 — CID 22945073

IUPACdipotassium;5-[(3-carboxylato-4-hydroxyphenyl)methyl]-2-hydroxybenzoate
SMILESO=C([O-])c1cc(Cc2ccc(O)c(C(=O)[O-])c2)ccc1O.[K+].[K+]
InChIInChI=1S/C15H12O6.2K/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21;;/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21);;/q;2*+1/p-2
InChIKeyHDRZHGSDUWMJSK-UHFFFAOYSA-L
MW364.44 g/mol
LogP-6.58
Rot. Bonds4

About dipotassium;5-[(3-carboxylato-4-hydroxyphenyl)methyl]-2-hydroxybenzoate

dipotassium;5-[(3-carboxylato-4-hydroxyphenyl)methyl]-2-hydroxybenzoate (PubChem CID 22945073) has the molecular formula C15H10K2O6 and a molecular weight of 364.44 g/mol. Its IUPAC name is dipotassium;5-[(3-carboxylato-4-hydroxyphenyl)methyl]-2-hydroxybenzoate.

Molecular Properties

Compound Namedipotassium;5-[(3-carboxylato-4-hydroxyphenyl)methyl]-2-hydroxybenzoate
PubChem CID22945073
Molecular FormulaC15H10K2O6
Molecular Weight364.44 g/mol
Exact Mass363.98
IUPAC Namedipotassium;5-[(3-carboxylato-4-hydroxyphenyl)methyl]-2-hydroxybenzoate
SMILESO=C([O-])c1cc(Cc2ccc(O)c(C(=O)[O-])c2)ccc1O.[K+].[K+]
InChIInChI=1S/C15H12O6.2K/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21;;/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21);;/q;2*+1/p-2
InChIKeyHDRZHGSDUWMJSK-UHFFFAOYSA-L
XLogP-6.58
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 5-6.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dipotassium;5-[(3-carboxylato-4-hydroxyphenyl)methyl]-2-hydroxybenzoate?
The IUPAC name of dipotassium;5-[(3-carboxylato-4-hydroxyphenyl)methyl]-2-hydroxybenzoate (CID 22945073) is dipotassium;5-[(3-carboxylato-4-hydroxyphenyl)methyl]-2-hydroxybenzoate.
What is the SMILES notation for dipotassium;5-[(3-carboxylato-4-hydroxyphenyl)methyl]-2-hydroxybenzoate?
The canonical SMILES for dipotassium;5-[(3-carboxylato-4-hydroxyphenyl)methyl]-2-hydroxybenzoate is O=C([O-])c1cc(Cc2ccc(O)c(C(=O)[O-])c2)ccc1O.[K+].[K+].
What is the InChIKey of dipotassium;5-[(3-carboxylato-4-hydroxyphenyl)methyl]-2-hydroxybenzoate?
The InChIKey is HDRZHGSDUWMJSK-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H12O6.2K/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21;;/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21);;/q;2*+1/p-2.
What are the key properties of dipotassium;5-[(3-carboxylato-4-hydroxyphenyl)methyl]-2-hydroxybenzoate?
dipotassium;5-[(3-carboxylato-4-hydroxyphenyl)methyl]-2-hydroxybenzoate has a molecular weight of 364.44 g/mol, XLogP of -6.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;5-[(3-carboxylato-4-hydroxyphenyl)methyl]-2-hydroxybenzoate is sourced from PubChem (CID 22945073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).