2,2-diphenyl-3H-pyran-4-one

C17H14O2 — CID 72942613

IUPAC2,2-diphenyl-3H-pyran-4-one
SMILESO=C1C=COC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C17H14O2/c18-16-11-12-19-17(13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12H,13H2
InChIKeyYABSZBPWAXHPAQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.43
Rot. Bonds2

About 2,2-diphenyl-3H-pyran-4-one

2,2-diphenyl-3H-pyran-4-one (PubChem CID 72942613) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2,2-diphenyl-3H-pyran-4-one.

Molecular Properties

Compound Name2,2-diphenyl-3H-pyran-4-one
PubChem CID72942613
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name2,2-diphenyl-3H-pyran-4-one
SMILESO=C1C=COC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C17H14O2/c18-16-11-12-19-17(13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12H,13H2
InChIKeyYABSZBPWAXHPAQ-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-diphenyl-3H-pyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-3H-pyran-4-one?
The IUPAC name of 2,2-diphenyl-3H-pyran-4-one (CID 72942613) is 2,2-diphenyl-3H-pyran-4-one.
What is the SMILES notation for 2,2-diphenyl-3H-pyran-4-one?
The canonical SMILES for 2,2-diphenyl-3H-pyran-4-one is O=C1C=COC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 2,2-diphenyl-3H-pyran-4-one?
The InChIKey is YABSZBPWAXHPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c18-16-11-12-19-17(13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12H,13H2.
What are the key properties of 2,2-diphenyl-3H-pyran-4-one?
2,2-diphenyl-3H-pyran-4-one has a molecular weight of 250.30 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-3H-pyran-4-one is sourced from PubChem (CID 72942613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).