3-hydroxy-2-[(E)-2-phenylethenyl]pyran-4-one

C13H10O3 — CID 156769776

IUPAC3-hydroxy-2-[(E)-2-phenylethenyl]pyran-4-one
SMILESO=c1ccoc(/C=C/c2ccccc2)c1O
InChIInChI=1S/C13H10O3/c14-11-8-9-16-12(13(11)15)7-6-10-4-2-1-3-5-10/h1-9,15H/b7-6+
InChIKeyLJYDCACIBKLTKZ-VOTSOKGWSA-N
MW214.22 g/mol
LogP2.52
Rot. Bonds2

About 3-hydroxy-2-[(E)-2-phenylethenyl]pyran-4-one

3-hydroxy-2-[(E)-2-phenylethenyl]pyran-4-one (PubChem CID 156769776) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-hydroxy-2-[(E)-2-phenylethenyl]pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[(E)-2-phenylethenyl]pyran-4-one
PubChem CID156769776
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name3-hydroxy-2-[(E)-2-phenylethenyl]pyran-4-one
SMILESO=c1ccoc(/C=C/c2ccccc2)c1O
InChIInChI=1S/C13H10O3/c14-11-8-9-16-12(13(11)15)7-6-10-4-2-1-3-5-10/h1-9,15H/b7-6+
InChIKeyLJYDCACIBKLTKZ-VOTSOKGWSA-N
XLogP2.52
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(E)-2-phenylethenyl]pyran-4-one?
The IUPAC name of 3-hydroxy-2-[(E)-2-phenylethenyl]pyran-4-one (CID 156769776) is 3-hydroxy-2-[(E)-2-phenylethenyl]pyran-4-one.
What is the SMILES notation for 3-hydroxy-2-[(E)-2-phenylethenyl]pyran-4-one?
The canonical SMILES for 3-hydroxy-2-[(E)-2-phenylethenyl]pyran-4-one is O=c1ccoc(/C=C/c2ccccc2)c1O.
What is the InChIKey of 3-hydroxy-2-[(E)-2-phenylethenyl]pyran-4-one?
The InChIKey is LJYDCACIBKLTKZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H10O3/c14-11-8-9-16-12(13(11)15)7-6-10-4-2-1-3-5-10/h1-9,15H/b7-6+.
What are the key properties of 3-hydroxy-2-[(E)-2-phenylethenyl]pyran-4-one?
3-hydroxy-2-[(E)-2-phenylethenyl]pyran-4-one has a molecular weight of 214.22 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(E)-2-phenylethenyl]pyran-4-one is sourced from PubChem (CID 156769776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).