4-hydroxy-6-[(E)-2-(4-phenyl-3-pyridinyl)ethenyl]oxan-2-one

C18H17NO3 — CID 143655792

IUPAC4-hydroxy-6-[(E)-2-(4-phenyl-3-pyridinyl)ethenyl]oxan-2-one
SMILESO=C1CC(O)CC(/C=C/c2cnccc2-c2ccccc2)O1
InChIInChI=1S/C18H17NO3/c20-15-10-16(22-18(21)11-15)7-6-14-12-19-9-8-17(14)13-4-2-1-3-5-13/h1-9,12,15-16,20H,10-11H2/b7-6+
InChIKeyGZWYOHZAWUNQCJ-VOTSOKGWSA-N
MW295.34 g/mol
LogP2.83
Rot. Bonds3

About 4-hydroxy-6-[(E)-2-(4-phenyl-3-pyridinyl)ethenyl]oxan-2-one

4-hydroxy-6-[(E)-2-(4-phenyl-3-pyridinyl)ethenyl]oxan-2-one (PubChem CID 143655792) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-hydroxy-6-[(E)-2-(4-phenyl-3-pyridinyl)ethenyl]oxan-2-one.

Molecular Properties

Compound Name4-hydroxy-6-[(E)-2-(4-phenyl-3-pyridinyl)ethenyl]oxan-2-one
PubChem CID143655792
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name4-hydroxy-6-[(E)-2-(4-phenyl-3-pyridinyl)ethenyl]oxan-2-one
SMILESO=C1CC(O)CC(/C=C/c2cnccc2-c2ccccc2)O1
InChIInChI=1S/C18H17NO3/c20-15-10-16(22-18(21)11-15)7-6-14-12-19-9-8-17(14)13-4-2-1-3-5-13/h1-9,12,15-16,20H,10-11H2/b7-6+
InChIKeyGZWYOHZAWUNQCJ-VOTSOKGWSA-N
XLogP2.83
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[(E)-2-(4-phenyl-3-pyridinyl)ethenyl]oxan-2-one?
The IUPAC name of 4-hydroxy-6-[(E)-2-(4-phenyl-3-pyridinyl)ethenyl]oxan-2-one (CID 143655792) is 4-hydroxy-6-[(E)-2-(4-phenyl-3-pyridinyl)ethenyl]oxan-2-one.
What is the SMILES notation for 4-hydroxy-6-[(E)-2-(4-phenyl-3-pyridinyl)ethenyl]oxan-2-one?
The canonical SMILES for 4-hydroxy-6-[(E)-2-(4-phenyl-3-pyridinyl)ethenyl]oxan-2-one is O=C1CC(O)CC(/C=C/c2cnccc2-c2ccccc2)O1.
What is the InChIKey of 4-hydroxy-6-[(E)-2-(4-phenyl-3-pyridinyl)ethenyl]oxan-2-one?
The InChIKey is GZWYOHZAWUNQCJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H17NO3/c20-15-10-16(22-18(21)11-15)7-6-14-12-19-9-8-17(14)13-4-2-1-3-5-13/h1-9,12,15-16,20H,10-11H2/b7-6+.
What are the key properties of 4-hydroxy-6-[(E)-2-(4-phenyl-3-pyridinyl)ethenyl]oxan-2-one?
4-hydroxy-6-[(E)-2-(4-phenyl-3-pyridinyl)ethenyl]oxan-2-one has a molecular weight of 295.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[(E)-2-(4-phenyl-3-pyridinyl)ethenyl]oxan-2-one is sourced from PubChem (CID 143655792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).