1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one

C15H17NO4 — CID 82897340

IUPAC1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one
SMILESCOc1ccc(CO)cc1OCCn1ccccc1=O
InChIInChI=1S/C15H17NO4/c1-19-13-6-5-12(11-17)10-14(13)20-9-8-16-7-3-2-4-15(16)18/h2-7,10,17H,8-9,11H2,1H3
InChIKeyLJVIFHIQLGHUEZ-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.43
Rot. Bonds6

About 1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one

1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one (PubChem CID 82897340) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one
PubChem CID82897340
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one
SMILESCOc1ccc(CO)cc1OCCn1ccccc1=O
InChIInChI=1S/C15H17NO4/c1-19-13-6-5-12(11-17)10-14(13)20-9-8-16-7-3-2-4-15(16)18/h2-7,10,17H,8-9,11H2,1H3
InChIKeyLJVIFHIQLGHUEZ-UHFFFAOYSA-N
XLogP1.43
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one
CID 78917301
1-[2-(2-bromo-4-methylphenoxy)ethyl]pyridin-2-one
CID 82840444
[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144
methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate
CID 82899166
1-[2-[2-(2-hydroxyethyl)phenoxy]ethyl]pyridin-2-one
CID 107713241
1-[2-(4-acetyl-2-fluorophenoxy)ethyl]pyridin-2-one
CID 115610630
1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one
CID 82899375
5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide
CID 114281672
1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one
CID 103566056
1-[2-(2-iodophenoxy)ethyl]pyridin-2-one
CID 78917316
[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol
CID 54958038
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one (CID 82897340) is 1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one is COc1ccc(CO)cc1OCCn1ccccc1=O.
What is the InChIKey of 1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one?
The InChIKey is LJVIFHIQLGHUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-19-13-6-5-12(11-17)10-14(13)20-9-8-16-7-3-2-4-15(16)18/h2-7,10,17H,8-9,11H2,1H3.
What are the key properties of 1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one?
1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one has a molecular weight of 275.30 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one is sourced from PubChem (CID 82897340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).