calcium bis(1-hydroxynaphthalene-2-carboxylate)

C22H14CaO6 — CID 139716025

IUPACcalcium bis(1-hydroxynaphthalene-2-carboxylate)
SMILESO=C([O-])c1ccc2ccccc2c1O.O=C([O-])c1ccc2ccccc2c1O.[Ca+2]
InChIInChI=1S/2C11H8O3.Ca/c2*12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14;/h2*1-6,12H,(H,13,14);/q;;+2/p-2
InChIKeyFEOBRZMNQSNZBU-UHFFFAOYSA-L
MW414.43 g/mol
LogP1.44
Rot. Bonds2

About calcium bis(1-hydroxynaphthalene-2-carboxylate)

calcium bis(1-hydroxynaphthalene-2-carboxylate) (PubChem CID 139716025) has the molecular formula C22H14CaO6 and a molecular weight of 414.43 g/mol. Its IUPAC name is calcium bis(1-hydroxynaphthalene-2-carboxylate).

Molecular Properties

Compound Namecalcium bis(1-hydroxynaphthalene-2-carboxylate)
PubChem CID139716025
Molecular FormulaC22H14CaO6
Molecular Weight414.43 g/mol
Exact Mass414.04
IUPAC Namecalcium bis(1-hydroxynaphthalene-2-carboxylate)
SMILESO=C([O-])c1ccc2ccccc2c1O.O=C([O-])c1ccc2ccccc2c1O.[Ca+2]
InChIInChI=1S/2C11H8O3.Ca/c2*12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14;/h2*1-6,12H,(H,13,14);/q;;+2/p-2
InChIKeyFEOBRZMNQSNZBU-UHFFFAOYSA-L
XLogP1.44
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
bis(iron(3+));tris(naphthalene-1,2-dicarboxylate)
CID 67068173
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride
CID 174494917
dipotassium;naphthalene-1,4-dicarboxylate
CID 101297429
1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate;bis(diethylazanium)
CID 139198087
calcium naphthalene-2,3-dicarboxylate
CID 101297436
N-(2-acetamidophenyl)-1-hydroxynaphthalene-2-carboxamide
CID 5133649
2-[(1-hydroxynaphthalene-2-carbonyl)amino]oxyacetic acid
CID 63914035
2-azido-1-(1-hydroxynaphthalen-2-yl)ethanone
CID 53416479
1-(1-hydroxynaphthalen-2-yl)-3-(4-methylphenyl)propane-1,3-dione
CID 939829
N-cyclopent-3-en-1-yl-1-hydroxynaphthalene-2-carboxamide
CID 115696816
N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide
CID 113342440

Frequently Asked Questions

What is the IUPAC name of calcium bis(1-hydroxynaphthalene-2-carboxylate)?
The IUPAC name of calcium bis(1-hydroxynaphthalene-2-carboxylate) (CID 139716025) is calcium bis(1-hydroxynaphthalene-2-carboxylate).
What is the SMILES notation for calcium bis(1-hydroxynaphthalene-2-carboxylate)?
The canonical SMILES for calcium bis(1-hydroxynaphthalene-2-carboxylate) is O=C([O-])c1ccc2ccccc2c1O.O=C([O-])c1ccc2ccccc2c1O.[Ca+2].
What is the InChIKey of calcium bis(1-hydroxynaphthalene-2-carboxylate)?
The InChIKey is FEOBRZMNQSNZBU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H8O3.Ca/c2*12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14;/h2*1-6,12H,(H,13,14);/q;;+2/p-2.
What are the key properties of calcium bis(1-hydroxynaphthalene-2-carboxylate)?
calcium bis(1-hydroxynaphthalene-2-carboxylate) has a molecular weight of 414.43 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium bis(1-hydroxynaphthalene-2-carboxylate) is sourced from PubChem (CID 139716025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).