1-[2-[4-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one

C15H17NO4 — CID 78917301

IUPAC1-[2-[4-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one
SMILESCOc1cc(CO)ccc1OCCn1ccccc1=O
InChIInChI=1S/C15H17NO4/c1-19-14-10-12(11-17)5-6-13(14)20-9-8-16-7-3-2-4-15(16)18/h2-7,10,17H,8-9,11H2,1H3
InChIKeyKOWRVLSYNHMOAM-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.43
Rot. Bonds6

About 1-[2-[4-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one

1-[2-[4-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one (PubChem CID 78917301) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-[2-[4-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one
PubChem CID78917301
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name1-[2-[4-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one
SMILESCOc1cc(CO)ccc1OCCn1ccccc1=O
InChIInChI=1S/C15H17NO4/c1-19-14-10-12(11-17)5-6-13(14)20-9-8-16-7-3-2-4-15(16)18/h2-7,10,17H,8-9,11H2,1H3
InChIKeyKOWRVLSYNHMOAM-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-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one
CID 82897340
[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144
1-[2-(2-bromo-4-methylphenoxy)ethyl]pyridin-2-one
CID 82840444
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-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one
CID 103566056
3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide
CID 86885388
1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one
CID 43111801
1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one
CID 82897410
1-[2-[4-chloro-2-(ethylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 82898441
1-[2-[2-methoxy-6-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 82898545

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one (CID 78917301) is 1-[2-[4-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one is COc1cc(CO)ccc1OCCn1ccccc1=O.
What is the InChIKey of 1-[2-[4-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one?
The InChIKey is KOWRVLSYNHMOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-19-14-10-12(11-17)5-6-13(14)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-[4-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one?
1-[2-[4-(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-[4-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one is sourced from PubChem (CID 78917301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).