copper tribenzoate

C21H15CuO6-3 — CID 158096746

IUPACcopper tribenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Cu]
InChIInChI=1S/3C7H6O2.Cu/c3*8-7(9)6-4-2-1-3-5-6;/h3*1-5H,(H,8,9);/p-3
InChIKeyIMDBRGAFHIXSLN-UHFFFAOYSA-K
MW426.89 g/mol
LogP0.15
Rot. Bonds3

About copper tribenzoate

copper tribenzoate (PubChem CID 158096746) has the molecular formula C21H15CuO6-3 and a molecular weight of 426.89 g/mol. Its IUPAC name is copper tribenzoate.

Molecular Properties

Compound Namecopper tribenzoate
PubChem CID158096746
Molecular FormulaC21H15CuO6-3
Molecular Weight426.89 g/mol
Exact Mass426.02
IUPAC Namecopper tribenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Cu]
InChIInChI=1S/3C7H6O2.Cu/c3*8-7(9)6-4-2-1-3-5-6;/h3*1-5H,(H,8,9);/p-3
InChIKeyIMDBRGAFHIXSLN-UHFFFAOYSA-K
XLogP0.15
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.89
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ruthenium(4+) tetrabenzoate
CID 173321421
calcium dibenzoate
CID 90470399
cerium(3+) tribenzoate
CID 6452877
benzoate tetrahydrate
CID 18510013
cobalt(3+) tribenzoate
CID 20537733
aluminum dibenzoate
CID 18679092
cadmium(2+) benzoate
CID 22051861
platinum(4+) tetrabenzoate
CID 173022810
azanium benzoate
CID 15830
triazanium;tribenzoate
CID 161450646
barium(2+) benzoate
CID 22608800
cadmium benzoate
CID 170839001

Frequently Asked Questions

What is the IUPAC name of copper tribenzoate?
The IUPAC name of copper tribenzoate (CID 158096746) is copper tribenzoate.
What is the SMILES notation for copper tribenzoate?
The canonical SMILES for copper tribenzoate is O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Cu].
What is the InChIKey of copper tribenzoate?
The InChIKey is IMDBRGAFHIXSLN-UHFFFAOYSA-K. The full InChI is InChI=1S/3C7H6O2.Cu/c3*8-7(9)6-4-2-1-3-5-6;/h3*1-5H,(H,8,9);/p-3.
What are the key properties of copper tribenzoate?
copper tribenzoate has a molecular weight of 426.89 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper tribenzoate is sourced from PubChem (CID 158096746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).