4-hydroxy-6-(2-methylpropyl)-3-phenyl-1-propan-2-ylpyridin-2-one

C18H23NO2 — CID 127040788

IUPAC4-hydroxy-6-(2-methylpropyl)-3-phenyl-1-propan-2-ylpyridin-2-one
SMILESCC(C)Cc1cc(O)c(-c2ccccc2)c(=O)n1C(C)C
InChIInChI=1S/C18H23NO2/c1-12(2)10-15-11-16(20)17(14-8-6-5-7-9-14)18(21)19(15)13(3)4/h5-9,11-13,20H,10H2,1-4H3
InChIKeyIPABEQISQVJYBN-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.00
Rot. Bonds4

About 4-hydroxy-6-(2-methylpropyl)-3-phenyl-1-propan-2-ylpyridin-2-one

4-hydroxy-6-(2-methylpropyl)-3-phenyl-1-propan-2-ylpyridin-2-one (PubChem CID 127040788) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-hydroxy-6-(2-methylpropyl)-3-phenyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(2-methylpropyl)-3-phenyl-1-propan-2-ylpyridin-2-one
PubChem CID127040788
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-hydroxy-6-(2-methylpropyl)-3-phenyl-1-propan-2-ylpyridin-2-one
SMILESCC(C)Cc1cc(O)c(-c2ccccc2)c(=O)n1C(C)C
InChIInChI=1S/C18H23NO2/c1-12(2)10-15-11-16(20)17(14-8-6-5-7-9-14)18(21)19(15)13(3)4/h5-9,11-13,20H,10H2,1-4H3
InChIKeyIPABEQISQVJYBN-UHFFFAOYSA-N
XLogP4.00
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(2-methylpropyl)-3-phenyl-1-propan-2-ylpyridin-2-one?
The IUPAC name of 4-hydroxy-6-(2-methylpropyl)-3-phenyl-1-propan-2-ylpyridin-2-one (CID 127040788) is 4-hydroxy-6-(2-methylpropyl)-3-phenyl-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-6-(2-methylpropyl)-3-phenyl-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 4-hydroxy-6-(2-methylpropyl)-3-phenyl-1-propan-2-ylpyridin-2-one is CC(C)Cc1cc(O)c(-c2ccccc2)c(=O)n1C(C)C.
What is the InChIKey of 4-hydroxy-6-(2-methylpropyl)-3-phenyl-1-propan-2-ylpyridin-2-one?
The InChIKey is IPABEQISQVJYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12(2)10-15-11-16(20)17(14-8-6-5-7-9-14)18(21)19(15)13(3)4/h5-9,11-13,20H,10H2,1-4H3.
What are the key properties of 4-hydroxy-6-(2-methylpropyl)-3-phenyl-1-propan-2-ylpyridin-2-one?
4-hydroxy-6-(2-methylpropyl)-3-phenyl-1-propan-2-ylpyridin-2-one has a molecular weight of 285.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(2-methylpropyl)-3-phenyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 127040788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).