2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol

C15H17NO — CID 157481244

IUPAC2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol
SMILESCc1cccc(-c2cccc(C(C)C)c2O)n1
InChIInChI=1S/C15H17NO/c1-10(2)12-7-5-8-13(15(12)17)14-9-4-6-11(3)16-14/h4-10,17H,1-3H3
InChIKeyUBHUUDSVDJZAMT-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.89
Rot. Bonds2

About 2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol

2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol (PubChem CID 157481244) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol
PubChem CID157481244
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol
SMILESCc1cccc(-c2cccc(C(C)C)c2O)n1
InChIInChI=1S/C15H17NO/c1-10(2)12-7-5-8-13(15(12)17)14-9-4-6-11(3)16-14/h4-10,17H,1-3H3
InChIKeyUBHUUDSVDJZAMT-UHFFFAOYSA-N
XLogP3.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol (CID 157481244) is 2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol is Cc1cccc(-c2cccc(C(C)C)c2O)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol?
The InChIKey is UBHUUDSVDJZAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10(2)12-7-5-8-13(15(12)17)14-9-4-6-11(3)16-14/h4-10,17H,1-3H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol?
2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol has a molecular weight of 227.31 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol is sourced from PubChem (CID 157481244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).