5423-06-3
2,5-DIMETHYL-3,4-DIPHENYL-4-HYDROXY-2-CYCLOPENTENONE
Name2,5-DIMETHYL-3,4-DIPHENYL-4-HYDROXY-2-CYCLOPENTENONE
1Identification
【Name】
2,5-DIMETHYL-3,4-DIPHENYL-4-HYDROXY-2-CYCLOPENTENONE
【CAS】
【MDL】
MFCD00088448
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H18 O2
【pro_molWeight】
278.349
【Inchi】
InChI=1S/C19H18O2/c1-13-17(15-9-5-3-6-10-15)19(21,14(2)18(13)20)16-11-7-4-8-12-16/h3-12,14,21H,1-2H3
【InChIKey】
InChIKey=VAAQGIJITBVELH-UHFFFAOYSA-N
【SMILES】
CC1C(=O)C(=C(C1(c2ccccc2)O)c3ccccc3)C
【MOL File】
2,5-DIMETHYL-3,4-DIP….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:2
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2,5-DIMETHYL-3,4-DIPHENYL-4-HYDROXY-2-CYCLOPENTENONE.cml