4-tert-butylphenol;cobalt

C10H14CoO — CID 174380967

IUPAC4-tert-butylphenol;cobalt
SMILESCC(C)(C)c1ccc(O)cc1.[Co]
InChIInChI=1S/C10H14O.Co/c1-10(2,3)8-4-6-9(11)7-5-8;/h4-7,11H,1-3H3;
InChIKeyRIKRMKHJAAXJDM-UHFFFAOYSA-N
MW209.15 g/mol
LogP2.69
Rot. Bonds

About 4-tert-butylphenol;cobalt

4-tert-butylphenol;cobalt (PubChem CID 174380967) has the molecular formula C10H14CoO and a molecular weight of 209.15 g/mol. Its IUPAC name is 4-tert-butylphenol;cobalt.

Molecular Properties

Compound Name4-tert-butylphenol;cobalt
PubChem CID174380967
Molecular FormulaC10H14CoO
Molecular Weight209.15 g/mol
Exact Mass209.04
IUPAC Name4-tert-butylphenol;cobalt
SMILESCC(C)(C)c1ccc(O)cc1.[Co]
InChIInChI=1S/C10H14O.Co/c1-10(2,3)8-4-6-9(11)7-5-8;/h4-7,11H,1-3H3;
InChIKeyRIKRMKHJAAXJDM-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.15
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylphenol;cobalt?
The IUPAC name of 4-tert-butylphenol;cobalt (CID 174380967) is 4-tert-butylphenol;cobalt.
What is the SMILES notation for 4-tert-butylphenol;cobalt?
The canonical SMILES for 4-tert-butylphenol;cobalt is CC(C)(C)c1ccc(O)cc1.[Co].
What is the InChIKey of 4-tert-butylphenol;cobalt?
The InChIKey is RIKRMKHJAAXJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.Co/c1-10(2,3)8-4-6-9(11)7-5-8;/h4-7,11H,1-3H3;.
What are the key properties of 4-tert-butylphenol;cobalt?
4-tert-butylphenol;cobalt has a molecular weight of 209.15 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylphenol;cobalt is sourced from PubChem (CID 174380967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).