1-[2-[2-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyridin-2-one

C17H17NO3 — CID 82899377

IUPAC1-[2-[2-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCOc1ccccc1C#CCCO
InChIInChI=1S/C17H17NO3/c19-13-6-4-8-15-7-1-2-9-16(15)21-14-12-18-11-5-3-10-17(18)20/h1-3,5,7,9-11,19H,6,12-14H2
InChIKeyOHNFTSUUJHXQCJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.66
Rot. Bonds5

About 1-[2-[2-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyridin-2-one

1-[2-[2-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyridin-2-one (PubChem CID 82899377) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[2-[2-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyridin-2-one
PubChem CID82899377
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name1-[2-[2-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCOc1ccccc1C#CCCO
InChIInChI=1S/C17H17NO3/c19-13-6-4-8-15-7-1-2-9-16(15)21-14-12-18-11-5-3-10-17(18)20/h1-3,5,7,9-11,19H,6,12-14H2
InChIKeyOHNFTSUUJHXQCJ-UHFFFAOYSA-N
XLogP1.66
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one
CID 82899375
1-[2-[2-(2-hydroxyethyl)phenoxy]ethyl]pyridin-2-one
CID 107713241
2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile
CID 43289161
1-[2-[2-(3-chloroprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one
CID 82899383
1-[2-(2-iodophenoxy)ethyl]pyridin-2-one
CID 78917316
1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one
CID 82896589
1-[2-[4-(4-chlorobut-1-ynyl)phenoxy]ethyl]pyridin-2-one
CID 82899386
1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one
CID 82897410
3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid
CID 82897733
1-[2-[2-(4-chlorobut-1-ynyl)phenoxy]ethyl]-2-methylimidazole
CID 61493698
3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 82891901
3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzonitrile
CID 82896590

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[2-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyridin-2-one (CID 82899377) is 1-[2-[2-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[2-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[2-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyridin-2-one is O=c1ccccn1CCOc1ccccc1C#CCCO.
What is the InChIKey of 1-[2-[2-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyridin-2-one?
The InChIKey is OHNFTSUUJHXQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-13-6-4-8-15-7-1-2-9-16(15)21-14-12-18-11-5-3-10-17(18)20/h1-3,5,7,9-11,19H,6,12-14H2.
What are the key properties of 1-[2-[2-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyridin-2-one?
1-[2-[2-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyridin-2-one has a molecular weight of 283.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyridin-2-one is sourced from PubChem (CID 82899377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).