cobalt;ethanone;phenol

C8H9CoO2- — CID 164576903

IUPACcobalt;ethanone;phenol
SMILESC[C-]=O.Oc1ccccc1.[Co]
InChIInChI=1S/C6H6O.C2H3O.Co/c7-6-4-2-1-3-5-6;1-2-3;/h1-5,7H;1H3;/q;-1;
InChIKeyMWKRNSYYMSLFCO-UHFFFAOYSA-N
MW196.09 g/mol
LogP1.51
Rot. Bonds

About cobalt;ethanone;phenol

cobalt;ethanone;phenol (PubChem CID 164576903) has the molecular formula C8H9CoO2- and a molecular weight of 196.09 g/mol. Its IUPAC name is cobalt;ethanone;phenol.

Molecular Properties

Compound Namecobalt;ethanone;phenol
PubChem CID164576903
Molecular FormulaC8H9CoO2-
Molecular Weight196.09 g/mol
Exact Mass195.99
IUPAC Namecobalt;ethanone;phenol
SMILESC[C-]=O.Oc1ccccc1.[Co]
InChIInChI=1S/C6H6O.C2H3O.Co/c7-6-4-2-1-3-5-6;1-2-3;/h1-5,7H;1H3;/q;-1;
InChIKeyMWKRNSYYMSLFCO-UHFFFAOYSA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cobalt;ethanone;phenol?
The IUPAC name of cobalt;ethanone;phenol (CID 164576903) is cobalt;ethanone;phenol.
What is the SMILES notation for cobalt;ethanone;phenol?
The canonical SMILES for cobalt;ethanone;phenol is C[C-]=O.Oc1ccccc1.[Co].
What is the InChIKey of cobalt;ethanone;phenol?
The InChIKey is MWKRNSYYMSLFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C2H3O.Co/c7-6-4-2-1-3-5-6;1-2-3;/h1-5,7H;1H3;/q;-1;.
What are the key properties of cobalt;ethanone;phenol?
cobalt;ethanone;phenol has a molecular weight of 196.09 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;ethanone;phenol is sourced from PubChem (CID 164576903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).