2,4-ditert-butyl-6-pyridin-2-ylphenol

C19H25NO — CID 136591636

IUPAC2,4-ditert-butyl-6-pyridin-2-ylphenol
SMILESCC(C)(C)c1cc(-c2ccccn2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H25NO/c1-18(2,3)13-11-14(16-9-7-8-10-20-16)17(21)15(12-13)19(4,5)6/h7-12,21H,1-6H3
InChIKeyGUNGPSRAPYKNEL-UHFFFAOYSA-N
MW283.41 g/mol
LogP5.05
Rot. Bonds1

About 2,4-ditert-butyl-6-pyridin-2-ylphenol

2,4-ditert-butyl-6-pyridin-2-ylphenol (PubChem CID 136591636) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-pyridin-2-ylphenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-pyridin-2-ylphenol
PubChem CID136591636
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name2,4-ditert-butyl-6-pyridin-2-ylphenol
SMILESCC(C)(C)c1cc(-c2ccccn2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H25NO/c1-18(2,3)13-11-14(16-9-7-8-10-20-16)17(21)15(12-13)19(4,5)6/h7-12,21H,1-6H3
InChIKeyGUNGPSRAPYKNEL-UHFFFAOYSA-N
XLogP5.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.41
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-pyridin-2-ylphenol?
The IUPAC name of 2,4-ditert-butyl-6-pyridin-2-ylphenol (CID 136591636) is 2,4-ditert-butyl-6-pyridin-2-ylphenol.
What is the SMILES notation for 2,4-ditert-butyl-6-pyridin-2-ylphenol?
The canonical SMILES for 2,4-ditert-butyl-6-pyridin-2-ylphenol is CC(C)(C)c1cc(-c2ccccn2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-pyridin-2-ylphenol?
The InChIKey is GUNGPSRAPYKNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-18(2,3)13-11-14(16-9-7-8-10-20-16)17(21)15(12-13)19(4,5)6/h7-12,21H,1-6H3.
What are the key properties of 2,4-ditert-butyl-6-pyridin-2-ylphenol?
2,4-ditert-butyl-6-pyridin-2-ylphenol has a molecular weight of 283.41 g/mol, XLogP of 5.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-pyridin-2-ylphenol is sourced from PubChem (CID 136591636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).