2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one

C12H17NO3 — CID 103446165

IUPAC2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
SMILESCCCOc1cncc(C(=O)C(C)(C)O)c1
InChIInChI=1S/C12H17NO3/c1-4-5-16-10-6-9(7-13-8-10)11(14)12(2,3)15/h6-8,15H,4-5H2,1-3H3
InChIKeyGGFNXVAXGBQJRQ-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.82
Rot. Bonds5

About 2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one

2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one (PubChem CID 103446165) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
PubChem CID103446165
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
SMILESCCCOc1cncc(C(=O)C(C)(C)O)c1
InChIInChI=1S/C12H17NO3/c1-4-5-16-10-6-9(7-13-8-10)11(14)12(2,3)15/h6-8,15H,4-5H2,1-3H3
InChIKeyGGFNXVAXGBQJRQ-UHFFFAOYSA-N
XLogP1.82
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 116566359
5-butoxypyridine-3-carboxylic acid
CID 63851154
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299
5-hexoxypyridine-3-carboxylic acid
CID 63850317
2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one
CID 115794017
4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one
CID 106677594
2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one
CID 116557169
1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566547
2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116554859
2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 116680587
(4-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794168
5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid
CID 63851857

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one (CID 103446165) is 2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one is CCCOc1cncc(C(=O)C(C)(C)O)c1.
What is the InChIKey of 2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one?
The InChIKey is GGFNXVAXGBQJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-5-16-10-6-9(7-13-8-10)11(14)12(2,3)15/h6-8,15H,4-5H2,1-3H3.
What are the key properties of 2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one?
2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one has a molecular weight of 223.27 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one is sourced from PubChem (CID 103446165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).