3-(2-hydroxyethyl)-6-methyl-5-phenylmethoxy-3H-pyridin-4-one

C15H17NO3 — CID 67831100

IUPAC3-(2-hydroxyethyl)-6-methyl-5-phenylmethoxy-3H-pyridin-4-one
SMILESCC1=C(OCc2ccccc2)C(=O)C(CCO)C=N1
InChIInChI=1S/C15H17NO3/c1-11-15(14(18)13(7-8-17)9-16-11)19-10-12-5-3-2-4-6-12/h2-6,9,13,17H,7-8,10H2,1H3
InChIKeyCCWJGDAHOFUELP-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.09
Rot. Bonds5

About 3-(2-hydroxyethyl)-6-methyl-5-phenylmethoxy-3H-pyridin-4-one

3-(2-hydroxyethyl)-6-methyl-5-phenylmethoxy-3H-pyridin-4-one (PubChem CID 67831100) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-6-methyl-5-phenylmethoxy-3H-pyridin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-6-methyl-5-phenylmethoxy-3H-pyridin-4-one
PubChem CID67831100
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name3-(2-hydroxyethyl)-6-methyl-5-phenylmethoxy-3H-pyridin-4-one
SMILESCC1=C(OCc2ccccc2)C(=O)C(CCO)C=N1
InChIInChI=1S/C15H17NO3/c1-11-15(14(18)13(7-8-17)9-16-11)19-10-12-5-3-2-4-6-12/h2-6,9,13,17H,7-8,10H2,1H3
InChIKeyCCWJGDAHOFUELP-UHFFFAOYSA-N
XLogP2.09
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-(2-hydroxyethyl)-4-phenylmethoxy-2H-furan-5-one
CID 54723596
ethyl 2-methyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate
CID 70918238
6-methyl-5-phenylmethoxy-3,4-dihydropyridin-4-ol
CID 123624867
(2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one
CID 70356460
ethyl 2-octyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate
CID 59180469
2-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one
CID 162753420
2-(2-methyl-6-phenylmethoxy-3-pyridinyl)ethanol
CID 102546176
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
benzyl 1-(2-hydroxyethyl)-5-methyltriazole-4-carboxylate
CID 103114564
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
2-(4-methyl-3-phenylmethoxyphenyl)ethanol
CID 117358003
5-methyl-6-phenylmethoxy-1H-pyrimidin-2-one
CID 18959450

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-6-methyl-5-phenylmethoxy-3H-pyridin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-6-methyl-5-phenylmethoxy-3H-pyridin-4-one (CID 67831100) is 3-(2-hydroxyethyl)-6-methyl-5-phenylmethoxy-3H-pyridin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-6-methyl-5-phenylmethoxy-3H-pyridin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-6-methyl-5-phenylmethoxy-3H-pyridin-4-one is CC1=C(OCc2ccccc2)C(=O)C(CCO)C=N1.
What is the InChIKey of 3-(2-hydroxyethyl)-6-methyl-5-phenylmethoxy-3H-pyridin-4-one?
The InChIKey is CCWJGDAHOFUELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11-15(14(18)13(7-8-17)9-16-11)19-10-12-5-3-2-4-6-12/h2-6,9,13,17H,7-8,10H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-6-methyl-5-phenylmethoxy-3H-pyridin-4-one?
3-(2-hydroxyethyl)-6-methyl-5-phenylmethoxy-3H-pyridin-4-one has a molecular weight of 259.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-6-methyl-5-phenylmethoxy-3H-pyridin-4-one is sourced from PubChem (CID 67831100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).