3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one

C17H21NO2 — CID 82521239

IUPAC3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one
SMILESCCCn1c(-c2ccccc2)ccc(C(C)(C)O)c1=O
InChIInChI=1S/C17H21NO2/c1-4-12-18-15(13-8-6-5-7-9-13)11-10-14(16(18)19)17(2,3)20/h5-11,20H,4,12H2,1-3H3
InChIKeyMSWWBXRGCAXLBX-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.15
Rot. Bonds4

About 3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one

3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one (PubChem CID 82521239) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one.

Molecular Properties

Compound Name3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one
PubChem CID82521239
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one
SMILESCCCn1c(-c2ccccc2)ccc(C(C)(C)O)c1=O
InChIInChI=1S/C17H21NO2/c1-4-12-18-15(13-8-6-5-7-9-13)11-10-14(16(18)19)17(2,3)20/h5-11,20H,4,12H2,1-3H3
InChIKeyMSWWBXRGCAXLBX-UHFFFAOYSA-N
XLogP3.15
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one?
The IUPAC name of 3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one (CID 82521239) is 3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one.
What is the SMILES notation for 3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one?
The canonical SMILES for 3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one is CCCn1c(-c2ccccc2)ccc(C(C)(C)O)c1=O.
What is the InChIKey of 3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one?
The InChIKey is MSWWBXRGCAXLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-12-18-15(13-8-6-5-7-9-13)11-10-14(16(18)19)17(2,3)20/h5-11,20H,4,12H2,1-3H3.
What are the key properties of 3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one?
3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one has a molecular weight of 271.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one is sourced from PubChem (CID 82521239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).