2-hydroxy-1-(4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one

C15H15NO3 — CID 132915461

IUPAC2-hydroxy-1-(4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one
SMILESCOc1ccc(C(=O)C(O)Cc2ccccn2)cc1
InChIInChI=1S/C15H15NO3/c1-19-13-7-5-11(6-8-13)15(18)14(17)10-12-4-2-3-9-16-12/h2-9,14,17H,10H2,1H3
InChIKeyYFSPAWZVUVYUJJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.88
Rot. Bonds5

About 2-hydroxy-1-(4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one

2-hydroxy-1-(4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one (PubChem CID 132915461) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-hydroxy-1-(4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one
PubChem CID132915461
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-hydroxy-1-(4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one
SMILESCOc1ccc(C(=O)C(O)Cc2ccccn2)cc1
InChIInChI=1S/C15H15NO3/c1-19-13-7-5-11(6-8-13)15(18)14(17)10-12-4-2-3-9-16-12/h2-9,14,17H,10H2,1H3
InChIKeyYFSPAWZVUVYUJJ-UHFFFAOYSA-N
XLogP1.88
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 2-hydroxy-1-(4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one (CID 132915461) is 2-hydroxy-1-(4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1-(4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 2-hydroxy-1-(4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one is COc1ccc(C(=O)C(O)Cc2ccccn2)cc1.
What is the InChIKey of 2-hydroxy-1-(4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one?
The InChIKey is YFSPAWZVUVYUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-19-13-7-5-11(6-8-13)15(18)14(17)10-12-4-2-3-9-16-12/h2-9,14,17H,10H2,1H3.
What are the key properties of 2-hydroxy-1-(4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one?
2-hydroxy-1-(4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one has a molecular weight of 257.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 132915461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).