dipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate)

C22H14K2O8 — CID 178181364

IUPACdipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate)
SMILESO=C(O)c1cc(O)c2ccccc2c1[O-].O=C(O)c1cc(O)c2ccccc2c1[O-].[K+].[K+]
InChIInChI=1S/2C11H8O4.2K/c2*12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9;;/h2*1-5,12-13H,(H,14,15);;/q;;2*+1/p-2
InChIKeyAUTTXJOEFUIJJG-UHFFFAOYSA-L
MW484.54 g/mol
LogP-3.36
Rot. Bonds2

About dipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate)

dipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate) (PubChem CID 178181364) has the molecular formula C22H14K2O8 and a molecular weight of 484.54 g/mol. Its IUPAC name is dipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate).

Molecular Properties

Compound Namedipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate)
PubChem CID178181364
Molecular FormulaC22H14K2O8
Molecular Weight484.54 g/mol
Exact Mass484.00
IUPAC Namedipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate)
SMILESO=C(O)c1cc(O)c2ccccc2c1[O-].O=C(O)c1cc(O)c2ccccc2c1[O-].[K+].[K+]
InChIInChI=1S/2C11H8O4.2K/c2*12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9;;/h2*1-5,12-13H,(H,14,15);;/q;;2*+1/p-2
InChIKeyAUTTXJOEFUIJJG-UHFFFAOYSA-L
XLogP-3.36
TPSA161.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 5-3.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-carboxy-4-sulfamoylnaphthalen-1-olate
CID 54706650
disodium bis(2-carboxy-4-hydroxy-6-methylnaphthalen-1-olate)
CID 178181369
1-[1-[2-(2-carboxy-4-hydroxynaphthalen-1-yl)-4-hydroxynaphthalen-1-yl]oxy-4-hydroxynaphthalen-2-yl]-4-hydroxynaphthalene-2-carboxylic acid
CID 142660456
(1,4-dihydroxynaphthalen-2-yl)-phenylmethanone
CID 11277063
3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate
CID 54721974
2-hydroxynaphthalene-1,4-dicarboxylic acid
CID 70121487
3-hydroxytriphenylene-2-carboxylic acid
CID 18963666
2-(5-carboxynaphthalen-1-yl)-4-hydroxynaphthalene-1-carboxylic acid
CID 70122105
2,5-dihydroxy-4-phenylbenzoic acid
CID 154086756
zinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate
CID 54706141
dicesium;3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate
CID 54702486
1,4-dioxidonaphthalene-2-carboxylate
CID 3698499

Frequently Asked Questions

What is the IUPAC name of dipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate)?
The IUPAC name of dipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate) (CID 178181364) is dipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate).
What is the SMILES notation for dipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate)?
The canonical SMILES for dipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate) is O=C(O)c1cc(O)c2ccccc2c1[O-].O=C(O)c1cc(O)c2ccccc2c1[O-].[K+].[K+].
What is the InChIKey of dipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate)?
The InChIKey is AUTTXJOEFUIJJG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H8O4.2K/c2*12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9;;/h2*1-5,12-13H,(H,14,15);;/q;;2*+1/p-2.
What are the key properties of dipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate)?
dipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate) has a molecular weight of 484.54 g/mol, XLogP of -3.36, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate) is sourced from PubChem (CID 178181364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).