4-hydroxy-6-phenacylpyran-2-one

C13H10O4 — CID 54694048

IUPAC4-hydroxy-6-phenacylpyran-2-one
SMILESO=C(Cc1cc(O)cc(=O)o1)c1ccccc1
InChIInChI=1S/C13H10O4/c14-10-6-11(17-13(16)7-10)8-12(15)9-4-2-1-3-5-9/h1-7,14H,8H2
InChIKeyAIMRGOBVEDTKLW-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.77
Rot. Bonds3

About 4-hydroxy-6-phenacylpyran-2-one

4-hydroxy-6-phenacylpyran-2-one (PubChem CID 54694048) has the molecular formula C13H10O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-hydroxy-6-phenacylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-phenacylpyran-2-one
PubChem CID54694048
Molecular FormulaC13H10O4
Molecular Weight230.22 g/mol
Exact Mass230.06
IUPAC Name4-hydroxy-6-phenacylpyran-2-one
SMILESO=C(Cc1cc(O)cc(=O)o1)c1ccccc1
InChIInChI=1S/C13H10O4/c14-10-6-11(17-13(16)7-10)8-12(15)9-4-2-1-3-5-9/h1-7,14H,8H2
InChIKeyAIMRGOBVEDTKLW-UHFFFAOYSA-N
XLogP1.77
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-phenacylpyran-2-one?
The IUPAC name of 4-hydroxy-6-phenacylpyran-2-one (CID 54694048) is 4-hydroxy-6-phenacylpyran-2-one.
What is the SMILES notation for 4-hydroxy-6-phenacylpyran-2-one?
The canonical SMILES for 4-hydroxy-6-phenacylpyran-2-one is O=C(Cc1cc(O)cc(=O)o1)c1ccccc1.
What is the InChIKey of 4-hydroxy-6-phenacylpyran-2-one?
The InChIKey is AIMRGOBVEDTKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O4/c14-10-6-11(17-13(16)7-10)8-12(15)9-4-2-1-3-5-9/h1-7,14H,8H2.
What are the key properties of 4-hydroxy-6-phenacylpyran-2-one?
4-hydroxy-6-phenacylpyran-2-one has a molecular weight of 230.22 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-phenacylpyran-2-one is sourced from PubChem (CID 54694048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).