5-hydroxy-2-phenylpyran-4-one

C11H8O3 — CID 77230946

IUPAC5-hydroxy-2-phenylpyran-4-one
SMILESO=c1cc(-c2ccccc2)occ1O
InChIInChI=1S/C11H8O3/c12-9-6-11(14-7-10(9)13)8-4-2-1-3-5-8/h1-7,13H
InChIKeyMITMLHADLMCGGB-UHFFFAOYSA-N
MW188.18 g/mol
LogP2.01
Rot. Bonds1

About 5-hydroxy-2-phenylpyran-4-one

5-hydroxy-2-phenylpyran-4-one (PubChem CID 77230946) has the molecular formula C11H8O3 and a molecular weight of 188.18 g/mol. Its IUPAC name is 5-hydroxy-2-phenylpyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-phenylpyran-4-one
PubChem CID77230946
Molecular FormulaC11H8O3
Molecular Weight188.18 g/mol
Exact Mass188.05
IUPAC Name5-hydroxy-2-phenylpyran-4-one
SMILESO=c1cc(-c2ccccc2)occ1O
InChIInChI=1S/C11H8O3/c12-9-6-11(14-7-10(9)13)8-4-2-1-3-5-8/h1-7,13H
InChIKeyMITMLHADLMCGGB-UHFFFAOYSA-N
XLogP2.01
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-phenylpyran-4-one?
The IUPAC name of 5-hydroxy-2-phenylpyran-4-one (CID 77230946) is 5-hydroxy-2-phenylpyran-4-one.
What is the SMILES notation for 5-hydroxy-2-phenylpyran-4-one?
The canonical SMILES for 5-hydroxy-2-phenylpyran-4-one is O=c1cc(-c2ccccc2)occ1O.
What is the InChIKey of 5-hydroxy-2-phenylpyran-4-one?
The InChIKey is MITMLHADLMCGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3/c12-9-6-11(14-7-10(9)13)8-4-2-1-3-5-8/h1-7,13H.
What are the key properties of 5-hydroxy-2-phenylpyran-4-one?
5-hydroxy-2-phenylpyran-4-one has a molecular weight of 188.18 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-phenylpyran-4-one is sourced from PubChem (CID 77230946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).