4,6-Diphenyl-2H-pyran-2-one

C₁₇H₁₂O₂CAS 17372-52-0248.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₇H₁₂O₂
Molar mass: 248.28 g/mol
Exact mass: 248.0837 Da
logP: 3.97Crippen estimate
Polar surface area: 30.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

17372-52-0

SMILES

C1=CC=C(C=C1)C2=CC(=O)OC(=C2)C3=CC=CC=C3

InChIKey

DDGIHXFDWLCKRZ-UHFFFAOYSA-N

InChI

InChI=1S/C17H12O2/c18-17-12-15(13-7-3-1-4-8-13)11-16(19-17)14-9-5-2-6-10-14/h1-12H

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Names and synonyms

1 names

4,6-Diphenyl-2-pyrone

Work with 4,6-Diphenyl-2H-pyran-2-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Flavone525-82-646 % similar 2,5-Diphenylfuran955-83-944 % similar 1,3,5-Triphenylbenzene612-71-544 % similar Alpha-naphthoflavone604-59-140 % similar 6-Methyl-2-phenyl-chromen-4-one29976-75-839 % similar 5-Hydroxyflavone491-78-139 % similar Beta-naphthoflavone6051-87-239 % similar 6-Hydroxyflavone6665-83-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

β-Naphthyl benzoate93-44-7

Elsewhere

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