cobalt;bis(5-methyl-2-propan-2-ylphenol)

C20H28CoO2 — CID 156896903

IUPACcobalt;bis(5-methyl-2-propan-2-ylphenol)
SMILESCc1ccc(C(C)C)c(O)c1.Cc1ccc(C(C)C)c(O)c1.[Co]
InChIInChI=1S/2C10H14O.Co/c2*1-7(2)9-5-4-8(3)6-10(9)11;/h2*4-7,11H,1-3H3;
InChIKeyXZSXGYYQRJXTJS-UHFFFAOYSA-N
MW359.38 g/mol
LogP5.65
Rot. Bonds2

About cobalt;bis(5-methyl-2-propan-2-ylphenol)

cobalt;bis(5-methyl-2-propan-2-ylphenol) (PubChem CID 156896903) has the molecular formula C20H28CoO2 and a molecular weight of 359.38 g/mol. Its IUPAC name is cobalt;bis(5-methyl-2-propan-2-ylphenol).

Molecular Properties

Compound Namecobalt;bis(5-methyl-2-propan-2-ylphenol)
PubChem CID156896903
Molecular FormulaC20H28CoO2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Namecobalt;bis(5-methyl-2-propan-2-ylphenol)
SMILESCc1ccc(C(C)C)c(O)c1.Cc1ccc(C(C)C)c(O)c1.[Co]
InChIInChI=1S/2C10H14O.Co/c2*1-7(2)9-5-4-8(3)6-10(9)11;/h2*4-7,11H,1-3H3;
InChIKeyXZSXGYYQRJXTJS-UHFFFAOYSA-N
XLogP5.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.38
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cobalt;bis(5-methyl-2-propan-2-ylphenol)?
The IUPAC name of cobalt;bis(5-methyl-2-propan-2-ylphenol) (CID 156896903) is cobalt;bis(5-methyl-2-propan-2-ylphenol).
What is the SMILES notation for cobalt;bis(5-methyl-2-propan-2-ylphenol)?
The canonical SMILES for cobalt;bis(5-methyl-2-propan-2-ylphenol) is Cc1ccc(C(C)C)c(O)c1.Cc1ccc(C(C)C)c(O)c1.[Co].
What is the InChIKey of cobalt;bis(5-methyl-2-propan-2-ylphenol)?
The InChIKey is XZSXGYYQRJXTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14O.Co/c2*1-7(2)9-5-4-8(3)6-10(9)11;/h2*4-7,11H,1-3H3;.
What are the key properties of cobalt;bis(5-methyl-2-propan-2-ylphenol)?
cobalt;bis(5-methyl-2-propan-2-ylphenol) has a molecular weight of 359.38 g/mol, XLogP of 5.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(5-methyl-2-propan-2-ylphenol) is sourced from PubChem (CID 156896903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).