4,5-diphenylpyran-2-one

C17H12O2 — CID 6425792

IUPAC4,5-diphenylpyran-2-one
SMILESO=c1cc(-c2ccccc2)c(-c2ccccc2)co1
InChIInChI=1S/C17H12O2/c18-17-11-15(13-7-3-1-4-8-13)16(12-19-17)14-9-5-2-6-10-14/h1-12H
InChIKeyPRHJRLIQXXJXKZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.97
Rot. Bonds2

About 4,5-diphenylpyran-2-one

4,5-diphenylpyran-2-one (PubChem CID 6425792) has the molecular formula C17H12O2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4,5-diphenylpyran-2-one.

Molecular Properties

Compound Name4,5-diphenylpyran-2-one
PubChem CID6425792
Molecular FormulaC17H12O2
Molecular Weight248.28 g/mol
Exact Mass248.08
IUPAC Name4,5-diphenylpyran-2-one
SMILESO=c1cc(-c2ccccc2)c(-c2ccccc2)co1
InChIInChI=1S/C17H12O2/c18-17-11-15(13-7-3-1-4-8-13)16(12-19-17)14-9-5-2-6-10-14/h1-12H
InChIKeyPRHJRLIQXXJXKZ-UHFFFAOYSA-N
XLogP3.97
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenylpyran-2-one?
The IUPAC name of 4,5-diphenylpyran-2-one (CID 6425792) is 4,5-diphenylpyran-2-one.
What is the SMILES notation for 4,5-diphenylpyran-2-one?
The canonical SMILES for 4,5-diphenylpyran-2-one is O=c1cc(-c2ccccc2)c(-c2ccccc2)co1.
What is the InChIKey of 4,5-diphenylpyran-2-one?
The InChIKey is PRHJRLIQXXJXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O2/c18-17-11-15(13-7-3-1-4-8-13)16(12-19-17)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 4,5-diphenylpyran-2-one?
4,5-diphenylpyran-2-one has a molecular weight of 248.28 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenylpyran-2-one is sourced from PubChem (CID 6425792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).