4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one

C12H17NO3 — CID 106677594

IUPAC4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one
SMILESCCCOc1cncc(C(=O)CCCO)c1
InChIInChI=1S/C12H17NO3/c1-2-6-16-11-7-10(8-13-9-11)12(15)4-3-5-14/h7-9,14H,2-6H2,1H3
InChIKeyQOXOGEDXIZEHTC-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.83
Rot. Bonds7

About 4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one

4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one (PubChem CID 106677594) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one
PubChem CID106677594
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one
SMILESCCCOc1cncc(C(=O)CCCO)c1
InChIInChI=1S/C12H17NO3/c1-2-6-16-11-7-10(8-13-9-11)12(15)4-3-5-14/h7-9,14H,2-6H2,1H3
InChIKeyQOXOGEDXIZEHTC-UHFFFAOYSA-N
XLogP1.83
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethoxy-3-pyridinyl)heptan-1-one
CID 115793819
3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 105124335
1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105124233
2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116554859
5-butoxypyridine-3-carboxylic acid
CID 63851154
2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 103446165
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299
5-(5-hydroxypentoxy)pyridine-3-carboxylic acid
CID 63851859
2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116591204
5-hexoxypyridine-3-carboxylic acid
CID 63850317
2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one
CID 115794017
2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 116566359

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one?
The IUPAC name of 4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one (CID 106677594) is 4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one.
What is the SMILES notation for 4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one?
The canonical SMILES for 4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one is CCCOc1cncc(C(=O)CCCO)c1.
What is the InChIKey of 4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one?
The InChIKey is QOXOGEDXIZEHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-6-16-11-7-10(8-13-9-11)12(15)4-3-5-14/h7-9,14H,2-6H2,1H3.
What are the key properties of 4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one?
4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one has a molecular weight of 223.27 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one is sourced from PubChem (CID 106677594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).