4-hydroxy-6-[2-(2-methyl-4-phenyl-3-pyridinyl)ethyl]oxan-2-one

C19H21NO3 — CID 14652685

IUPAC4-hydroxy-6-[2-(2-methyl-4-phenyl-3-pyridinyl)ethyl]oxan-2-one
SMILESCc1nccc(-c2ccccc2)c1CCC1CC(O)CC(=O)O1
InChIInChI=1S/C19H21NO3/c1-13-17(8-7-16-11-15(21)12-19(22)23-16)18(9-10-20-13)14-5-3-2-4-6-14/h2-6,9-10,15-16,21H,7-8,11-12H2,1H3
InChIKeyYMYJETAPSNLIIW-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.06
Rot. Bonds4

About 4-hydroxy-6-[2-(2-methyl-4-phenyl-3-pyridinyl)ethyl]oxan-2-one

4-hydroxy-6-[2-(2-methyl-4-phenyl-3-pyridinyl)ethyl]oxan-2-one (PubChem CID 14652685) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-hydroxy-6-[2-(2-methyl-4-phenyl-3-pyridinyl)ethyl]oxan-2-one.

Molecular Properties

Compound Name4-hydroxy-6-[2-(2-methyl-4-phenyl-3-pyridinyl)ethyl]oxan-2-one
PubChem CID14652685
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4-hydroxy-6-[2-(2-methyl-4-phenyl-3-pyridinyl)ethyl]oxan-2-one
SMILESCc1nccc(-c2ccccc2)c1CCC1CC(O)CC(=O)O1
InChIInChI=1S/C19H21NO3/c1-13-17(8-7-16-11-15(21)12-19(22)23-16)18(9-10-20-13)14-5-3-2-4-6-14/h2-6,9-10,15-16,21H,7-8,11-12H2,1H3
InChIKeyYMYJETAPSNLIIW-UHFFFAOYSA-N
XLogP3.06
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[2-(2-methyl-4-phenyl-3-pyridinyl)ethyl]oxan-2-one?
The IUPAC name of 4-hydroxy-6-[2-(2-methyl-4-phenyl-3-pyridinyl)ethyl]oxan-2-one (CID 14652685) is 4-hydroxy-6-[2-(2-methyl-4-phenyl-3-pyridinyl)ethyl]oxan-2-one.
What is the SMILES notation for 4-hydroxy-6-[2-(2-methyl-4-phenyl-3-pyridinyl)ethyl]oxan-2-one?
The canonical SMILES for 4-hydroxy-6-[2-(2-methyl-4-phenyl-3-pyridinyl)ethyl]oxan-2-one is Cc1nccc(-c2ccccc2)c1CCC1CC(O)CC(=O)O1.
What is the InChIKey of 4-hydroxy-6-[2-(2-methyl-4-phenyl-3-pyridinyl)ethyl]oxan-2-one?
The InChIKey is YMYJETAPSNLIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13-17(8-7-16-11-15(21)12-19(22)23-16)18(9-10-20-13)14-5-3-2-4-6-14/h2-6,9-10,15-16,21H,7-8,11-12H2,1H3.
What are the key properties of 4-hydroxy-6-[2-(2-methyl-4-phenyl-3-pyridinyl)ethyl]oxan-2-one?
4-hydroxy-6-[2-(2-methyl-4-phenyl-3-pyridinyl)ethyl]oxan-2-one has a molecular weight of 311.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[2-(2-methyl-4-phenyl-3-pyridinyl)ethyl]oxan-2-one is sourced from PubChem (CID 14652685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).