1-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]pyridin-4-one

C16H19NO3 — CID 62880677

IUPAC1-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]pyridin-4-one
SMILESCCOc1ccc(C(C)O)cc1Cn1ccc(=O)cc1
InChIInChI=1S/C16H19NO3/c1-3-20-16-5-4-13(12(2)18)10-14(16)11-17-8-6-15(19)7-9-17/h4-10,12,18H,3,11H2,1-2H3
InChIKeyJGKKSICABOIEKD-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.35
Rot. Bonds5

About 1-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]pyridin-4-one

1-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]pyridin-4-one (PubChem CID 62880677) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]pyridin-4-one.

Molecular Properties

Compound Name1-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]pyridin-4-one
PubChem CID62880677
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]pyridin-4-one
SMILESCCOc1ccc(C(C)O)cc1Cn1ccc(=O)cc1
InChIInChI=1S/C16H19NO3/c1-3-20-16-5-4-13(12(2)18)10-14(16)11-17-8-6-15(19)7-9-17/h4-10,12,18H,3,11H2,1-2H3
InChIKeyJGKKSICABOIEKD-UHFFFAOYSA-N
XLogP2.35
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836626
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1-(3-ethoxy-4-methoxyphenyl)ethanol
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1-(3-chloro-4-ethoxyphenyl)ethanol
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2-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methyl]pyridazin-3-one
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1-(3-ethyl-4-methoxyphenyl)ethanol
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(1R)-1-(3-ethoxy-4-fluorophenyl)ethanol
CID 97294338
1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperazine-2,5-dione
CID 79936035
1-[[5-(1-aminoethyl)-2-ethoxyphenyl]methyl]-3-methylimidazolidin-2-one
CID 62490292
1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione
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1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanol
CID 79107502
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol
CID 64597058

Frequently Asked Questions

What is the IUPAC name of 1-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]pyridin-4-one?
The IUPAC name of 1-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]pyridin-4-one (CID 62880677) is 1-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]pyridin-4-one.
What is the SMILES notation for 1-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]pyridin-4-one?
The canonical SMILES for 1-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]pyridin-4-one is CCOc1ccc(C(C)O)cc1Cn1ccc(=O)cc1.
What is the InChIKey of 1-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]pyridin-4-one?
The InChIKey is JGKKSICABOIEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-20-16-5-4-13(12(2)18)10-14(16)11-17-8-6-15(19)7-9-17/h4-10,12,18H,3,11H2,1-2H3.
What are the key properties of 1-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]pyridin-4-one?
1-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]pyridin-4-one has a molecular weight of 273.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]pyridin-4-one is sourced from PubChem (CID 62880677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).