dipotassium;4-(4-carboxybenzoyl)benzoic acid;hydride

C15H12K2O5 — CID 175423080

IUPACdipotassium;4-(4-carboxybenzoyl)benzoic acid;hydride
SMILESO=C(O)c1ccc(C(=O)c2ccc(C(=O)O)cc2)cc1.[H-].[H-].[K+].[K+]
InChIInChI=1S/C15H10O5.2K.2H/c16-13(9-1-5-11(6-2-9)14(17)18)10-3-7-12(8-4-10)15(19)20;;;;/h1-8H,(H,17,18)(H,19,20);;;;/q;2*+1;2*-1
InChIKeyHHNGOYMOIFSLQY-UHFFFAOYSA-N
MW350.45 g/mol
LogP-3.45
Rot. Bonds4

About dipotassium;4-(4-carboxybenzoyl)benzoic acid;hydride

dipotassium;4-(4-carboxybenzoyl)benzoic acid;hydride (PubChem CID 175423080) has the molecular formula C15H12K2O5 and a molecular weight of 350.45 g/mol. Its IUPAC name is dipotassium;4-(4-carboxybenzoyl)benzoic acid;hydride.

Molecular Properties

Compound Namedipotassium;4-(4-carboxybenzoyl)benzoic acid;hydride
PubChem CID175423080
Molecular FormulaC15H12K2O5
Molecular Weight350.45 g/mol
Exact Mass350.00
IUPAC Namedipotassium;4-(4-carboxybenzoyl)benzoic acid;hydride
SMILESO=C(O)c1ccc(C(=O)c2ccc(C(=O)O)cc2)cc1.[H-].[H-].[K+].[K+]
InChIInChI=1S/C15H10O5.2K.2H/c16-13(9-1-5-11(6-2-9)14(17)18)10-3-7-12(8-4-10)15(19)20;;;;/h1-8H,(H,17,18)(H,19,20);;;;/q;2*+1;2*-1
InChIKeyHHNGOYMOIFSLQY-UHFFFAOYSA-N
XLogP-3.45
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 5-3.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

potassium;terephthalic acid;hydroxide
CID 157415014
terephthalic acid
CID 160582437
lithium;copper;hydride;terephthalic acid
CID 175298386
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
terephthalic acid;dihydrofluoride
CID 70485309
4-[3-(4-carboxybenzoyl)benzoyl]benzoic acid
CID 22561490
4-[4-[2-[4-(4-carboxybenzoyl)phenyl]ethynyl]benzoyl]benzoic acid
CID 139933830
ethene;terephthalic acid
CID 18755810
oxophosphane;terephthalic acid
CID 175391404
silver;terephthalic acid;zinc
CID 88512761
zinc;oxygen(2-);terephthalic acid
CID 68542267

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-(4-carboxybenzoyl)benzoic acid;hydride?
The IUPAC name of dipotassium;4-(4-carboxybenzoyl)benzoic acid;hydride (CID 175423080) is dipotassium;4-(4-carboxybenzoyl)benzoic acid;hydride.
What is the SMILES notation for dipotassium;4-(4-carboxybenzoyl)benzoic acid;hydride?
The canonical SMILES for dipotassium;4-(4-carboxybenzoyl)benzoic acid;hydride is O=C(O)c1ccc(C(=O)c2ccc(C(=O)O)cc2)cc1.[H-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;4-(4-carboxybenzoyl)benzoic acid;hydride?
The InChIKey is HHNGOYMOIFSLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5.2K.2H/c16-13(9-1-5-11(6-2-9)14(17)18)10-3-7-12(8-4-10)15(19)20;;;;/h1-8H,(H,17,18)(H,19,20);;;;/q;2*+1;2*-1.
What are the key properties of dipotassium;4-(4-carboxybenzoyl)benzoic acid;hydride?
dipotassium;4-(4-carboxybenzoyl)benzoic acid;hydride has a molecular weight of 350.45 g/mol, XLogP of -3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;4-(4-carboxybenzoyl)benzoic acid;hydride is sourced from PubChem (CID 175423080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).