6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one

C19H25NO2 — CID 82519868

IUPAC6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one
SMILESCCCn1c(-c2cc(C)ccc2C)ccc(C(C)(C)O)c1=O
InChIInChI=1S/C19H25NO2/c1-6-11-20-17(15-12-13(2)7-8-14(15)3)10-9-16(18(20)21)19(4,5)22/h7-10,12,22H,6,11H2,1-5H3
InChIKeyNORXBILHNUUHEV-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.77
Rot. Bonds4

About 6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one

6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one (PubChem CID 82519868) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one
PubChem CID82519868
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one
SMILESCCCn1c(-c2cc(C)ccc2C)ccc(C(C)(C)O)c1=O
InChIInChI=1S/C19H25NO2/c1-6-11-20-17(15-12-13(2)7-8-14(15)3)10-9-16(18(20)21)19(4,5)22/h7-10,12,22H,6,11H2,1-5H3
InChIKeyNORXBILHNUUHEV-UHFFFAOYSA-N
XLogP3.77
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one?
The IUPAC name of 6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one (CID 82519868) is 6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one.
What is the SMILES notation for 6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one?
The canonical SMILES for 6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one is CCCn1c(-c2cc(C)ccc2C)ccc(C(C)(C)O)c1=O.
What is the InChIKey of 6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one?
The InChIKey is NORXBILHNUUHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-6-11-20-17(15-12-13(2)7-8-14(15)3)10-9-16(18(20)21)19(4,5)22/h7-10,12,22H,6,11H2,1-5H3.
What are the key properties of 6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one?
6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one has a molecular weight of 299.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one is sourced from PubChem (CID 82519868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).