1-(2-hydroxy-4-methylphenyl)-1-pyridin-2-ylpropan-2-one

C15H15NO2 — CID 66847995

IUPAC1-(2-hydroxy-4-methylphenyl)-1-pyridin-2-ylpropan-2-one
SMILESCC(=O)C(c1ccccn1)c1ccc(C)cc1O
InChIInChI=1S/C15H15NO2/c1-10-6-7-12(14(18)9-10)15(11(2)17)13-5-3-4-8-16-13/h3-9,15,18H,1-2H3
InChIKeyHSHCCHJRUHIHJS-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.82
Rot. Bonds3

About 1-(2-hydroxy-4-methylphenyl)-1-pyridin-2-ylpropan-2-one

1-(2-hydroxy-4-methylphenyl)-1-pyridin-2-ylpropan-2-one (PubChem CID 66847995) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methylphenyl)-1-pyridin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-4-methylphenyl)-1-pyridin-2-ylpropan-2-one
PubChem CID66847995
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-(2-hydroxy-4-methylphenyl)-1-pyridin-2-ylpropan-2-one
SMILESCC(=O)C(c1ccccn1)c1ccc(C)cc1O
InChIInChI=1S/C15H15NO2/c1-10-6-7-12(14(18)9-10)15(11(2)17)13-5-3-4-8-16-13/h3-9,15,18H,1-2H3
InChIKeyHSHCCHJRUHIHJS-UHFFFAOYSA-N
XLogP2.82
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methylphenyl)-1-pyridin-2-ylpropan-2-one?
The IUPAC name of 1-(2-hydroxy-4-methylphenyl)-1-pyridin-2-ylpropan-2-one (CID 66847995) is 1-(2-hydroxy-4-methylphenyl)-1-pyridin-2-ylpropan-2-one.
What is the SMILES notation for 1-(2-hydroxy-4-methylphenyl)-1-pyridin-2-ylpropan-2-one?
The canonical SMILES for 1-(2-hydroxy-4-methylphenyl)-1-pyridin-2-ylpropan-2-one is CC(=O)C(c1ccccn1)c1ccc(C)cc1O.
What is the InChIKey of 1-(2-hydroxy-4-methylphenyl)-1-pyridin-2-ylpropan-2-one?
The InChIKey is HSHCCHJRUHIHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-6-7-12(14(18)9-10)15(11(2)17)13-5-3-4-8-16-13/h3-9,15,18H,1-2H3.
What are the key properties of 1-(2-hydroxy-4-methylphenyl)-1-pyridin-2-ylpropan-2-one?
1-(2-hydroxy-4-methylphenyl)-1-pyridin-2-ylpropan-2-one has a molecular weight of 241.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methylphenyl)-1-pyridin-2-ylpropan-2-one is sourced from PubChem (CID 66847995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).