3-benzoyl-4-hydroxy-6-phenylpyran-2-one

C18H12O4 — CID 135447422

IUPAC3-benzoyl-4-hydroxy-6-phenylpyran-2-one
SMILESO=C(c1ccccc1)c1c(O)cc(-c2ccccc2)oc1=O
InChIInChI=1S/C18H12O4/c19-14-11-15(12-7-3-1-4-8-12)22-18(21)16(14)17(20)13-9-5-2-6-10-13/h1-11,19H
InChIKeyTXOPSTZDOLCEGT-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.24
Rot. Bonds3

About 3-benzoyl-4-hydroxy-6-phenylpyran-2-one

3-benzoyl-4-hydroxy-6-phenylpyran-2-one (PubChem CID 135447422) has the molecular formula C18H12O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-benzoyl-4-hydroxy-6-phenylpyran-2-one.

Molecular Properties

Compound Name3-benzoyl-4-hydroxy-6-phenylpyran-2-one
PubChem CID135447422
Molecular FormulaC18H12O4
Molecular Weight292.29 g/mol
Exact Mass292.07
IUPAC Name3-benzoyl-4-hydroxy-6-phenylpyran-2-one
SMILESO=C(c1ccccc1)c1c(O)cc(-c2ccccc2)oc1=O
InChIInChI=1S/C18H12O4/c19-14-11-15(12-7-3-1-4-8-12)22-18(21)16(14)17(20)13-9-5-2-6-10-13/h1-11,19H
InChIKeyTXOPSTZDOLCEGT-UHFFFAOYSA-N
XLogP3.24
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-4-hydroxy-6-phenylpyran-2-one?
The IUPAC name of 3-benzoyl-4-hydroxy-6-phenylpyran-2-one (CID 135447422) is 3-benzoyl-4-hydroxy-6-phenylpyran-2-one.
What is the SMILES notation for 3-benzoyl-4-hydroxy-6-phenylpyran-2-one?
The canonical SMILES for 3-benzoyl-4-hydroxy-6-phenylpyran-2-one is O=C(c1ccccc1)c1c(O)cc(-c2ccccc2)oc1=O.
What is the InChIKey of 3-benzoyl-4-hydroxy-6-phenylpyran-2-one?
The InChIKey is TXOPSTZDOLCEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O4/c19-14-11-15(12-7-3-1-4-8-12)22-18(21)16(14)17(20)13-9-5-2-6-10-13/h1-11,19H.
What are the key properties of 3-benzoyl-4-hydroxy-6-phenylpyran-2-one?
3-benzoyl-4-hydroxy-6-phenylpyran-2-one has a molecular weight of 292.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-4-hydroxy-6-phenylpyran-2-one is sourced from PubChem (CID 135447422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).