1-(3-hydroxypropyl)-3-phenylmethoxypyridin-2-one

C15H17NO3 — CID 11482333

IUPAC1-(3-hydroxypropyl)-3-phenylmethoxypyridin-2-one
SMILESO=c1c(OCc2ccccc2)cccn1CCCO
InChIInChI=1S/C15H17NO3/c17-11-5-10-16-9-4-8-14(15(16)18)19-12-13-6-2-1-3-7-13/h1-4,6-9,17H,5,10-12H2
InChIKeyFLIMBSXYQCDXBV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.81
Rot. Bonds6

About 1-(3-hydroxypropyl)-3-phenylmethoxypyridin-2-one

1-(3-hydroxypropyl)-3-phenylmethoxypyridin-2-one (PubChem CID 11482333) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-phenylmethoxypyridin-2-one
PubChem CID11482333
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name1-(3-hydroxypropyl)-3-phenylmethoxypyridin-2-one
SMILESO=c1c(OCc2ccccc2)cccn1CCCO
InChIInChI=1S/C15H17NO3/c17-11-5-10-16-9-4-8-14(15(16)18)19-12-13-6-2-1-3-7-13/h1-4,6-9,17H,5,10-12H2
InChIKeyFLIMBSXYQCDXBV-UHFFFAOYSA-N
XLogP1.81
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-phenylmethoxypyridin-2-one?
The IUPAC name of 1-(3-hydroxypropyl)-3-phenylmethoxypyridin-2-one (CID 11482333) is 1-(3-hydroxypropyl)-3-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-(3-hydroxypropyl)-3-phenylmethoxypyridin-2-one is O=c1c(OCc2ccccc2)cccn1CCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-3-phenylmethoxypyridin-2-one?
The InChIKey is FLIMBSXYQCDXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-11-5-10-16-9-4-8-14(15(16)18)19-12-13-6-2-1-3-7-13/h1-4,6-9,17H,5,10-12H2.
What are the key properties of 1-(3-hydroxypropyl)-3-phenylmethoxypyridin-2-one?
1-(3-hydroxypropyl)-3-phenylmethoxypyridin-2-one has a molecular weight of 259.31 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-phenylmethoxypyridin-2-one is sourced from PubChem (CID 11482333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).