cobalt(2+);phenyl benzoate;diacetate

C17H16CoO6 — CID 163661272

IUPACcobalt(2+);phenyl benzoate;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].O=C(Oc1ccccc1)c1ccccc1.[Co+2]
InChIInChI=1S/C13H10O2.2C2H4O2.Co/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;2*1-2(3)4;/h1-10H;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyIUPAOGYNNMPRDF-UHFFFAOYSA-L
MW375.24 g/mol
LogP0.42
Rot. Bonds2

About cobalt(2+);phenyl benzoate;diacetate

cobalt(2+);phenyl benzoate;diacetate (PubChem CID 163661272) has the molecular formula C17H16CoO6 and a molecular weight of 375.24 g/mol. Its IUPAC name is cobalt(2+);phenyl benzoate;diacetate.

Molecular Properties

Compound Namecobalt(2+);phenyl benzoate;diacetate
PubChem CID163661272
Molecular FormulaC17H16CoO6
Molecular Weight375.24 g/mol
Exact Mass375.03
IUPAC Namecobalt(2+);phenyl benzoate;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].O=C(Oc1ccccc1)c1ccccc1.[Co+2]
InChIInChI=1S/C13H10O2.2C2H4O2.Co/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;2*1-2(3)4;/h1-10H;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyIUPAOGYNNMPRDF-UHFFFAOYSA-L
XLogP0.42
TPSA106.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.24
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(Z)-but-2-enedioic acid;phenyl benzoate
CID 172830010
phenyl benzoate;sulfuryl dichloride
CID 162241119
[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
(1-methylpyridin-1-ium-4-yl) benzoate
CID 10042923
formaldehyde;(4-methylphenyl) benzoate
CID 143467602
[4-(phenoxymethoxy)phenyl] benzoate
CID 20724331
phenyl 4-tert-butylbenzoate
CID 733785
[4-[1,1-bis(4-benzoyloxyphenyl)ethyl]phenyl] benzoate
CID 19918778
(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
1-O-[2-(4-phenoxycarbonylbenzoyl)oxyethyl] 4-O-phenyl benzene-1,4-dicarboxylate
CID 154278572
[3-(3-benzoyloxyphenoxy)carbonyloxyphenyl] benzoate
CID 22982979

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);phenyl benzoate;diacetate?
The IUPAC name of cobalt(2+);phenyl benzoate;diacetate (CID 163661272) is cobalt(2+);phenyl benzoate;diacetate.
What is the SMILES notation for cobalt(2+);phenyl benzoate;diacetate?
The canonical SMILES for cobalt(2+);phenyl benzoate;diacetate is CC(=O)[O-].CC(=O)[O-].O=C(Oc1ccccc1)c1ccccc1.[Co+2].
What is the InChIKey of cobalt(2+);phenyl benzoate;diacetate?
The InChIKey is IUPAOGYNNMPRDF-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H10O2.2C2H4O2.Co/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;2*1-2(3)4;/h1-10H;2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of cobalt(2+);phenyl benzoate;diacetate?
cobalt(2+);phenyl benzoate;diacetate has a molecular weight of 375.24 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);phenyl benzoate;diacetate is sourced from PubChem (CID 163661272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).