1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one

C17H17NO3 — CID 82899375

IUPAC1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one
SMILESCc1ccc(OCCn2ccccc2=O)c(C#CCO)c1
InChIInChI=1S/C17H17NO3/c1-14-7-8-16(15(13-14)5-4-11-19)21-12-10-18-9-3-2-6-17(18)20/h2-3,6-9,13,19H,10-12H2,1H3
InChIKeyRYMRUQMJYFQFFF-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.58
Rot. Bonds4

About 1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one

1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one (PubChem CID 82899375) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one
PubChem CID82899375
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one
SMILESCc1ccc(OCCn2ccccc2=O)c(C#CCO)c1
InChIInChI=1S/C17H17NO3/c1-14-7-8-16(15(13-14)5-4-11-19)21-12-10-18-9-3-2-6-17(18)20/h2-3,6-9,13,19H,10-12H2,1H3
InChIKeyRYMRUQMJYFQFFF-UHFFFAOYSA-N
XLogP1.58
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-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

1-[2-[2-(3-chloroprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one
CID 82899383
3-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 60800600
1-[2-(2-bromo-4-methylphenoxy)ethyl]pyridin-2-one
CID 82840444
1-[2-[2-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyridin-2-one
CID 82899377
1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 82897921
3-[2-(2-ethylsulfonylethoxy)-5-methylphenyl]prop-2-yn-1-ol
CID 54914350
3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol
CID 60800596
3-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 55108396
1-[2-[4-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one
CID 78917301
1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one
CID 82897340
1-[2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one
CID 82898565
3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
CID 60801804

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one (CID 82899375) is 1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one is Cc1ccc(OCCn2ccccc2=O)c(C#CCO)c1.
What is the InChIKey of 1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one?
The InChIKey is RYMRUQMJYFQFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-14-7-8-16(15(13-14)5-4-11-19)21-12-10-18-9-3-2-6-17(18)20/h2-3,6-9,13,19H,10-12H2,1H3.
What are the key properties of 1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one?
1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one has a molecular weight of 283.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one is sourced from PubChem (CID 82899375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).