75115-83-2
(3-ALPHA,4-ALPHA,6-BETA)-TETRAHYDRO-4-(4-CHLOROPHENYL)-6-METHYL-3-PHENYL-2H-PYRAN-2-ONE
Name(3-ALPHA,4-ALPHA,6-BETA)-TETRAHYDRO-4-(4-CHLOROPHENYL)-6-METHYL-3-PHENYL-2H-PYRAN-2-ONE
1Identification
【Name】
(3-ALPHA,4-ALPHA,6-BETA)-TETRAHYDRO-4-(4-CHLOROPHENYL)-6-METHYL-3-PHENYL-2H-PYRAN-2-ONE
【CAS】
【MDL】
MFCD01693962
【English Synonyms】
【Formula】
C18 H17 Cl O2
【MolWeight】
300.783
【Inchi】
InChI=1S/C18H17ClO2/c1-12-11-16(13-7-9-15(19)10-8-13)17(18(20)21-12)14-5-3-2-4-6-14/h2-10,12,16-17H,11H2,1H3/t12-,16+,17-/m0/s1
【InChIKey】
InChIKey=QSAFSJAOPPHPTK-VUCTXSBTSA-N
【SMILES】
C[C@H]1C[C@@H]([C@@H](C(=O)O1)c2ccccc2)c3ccc(cc3)Cl
【MOL File】
(3-ALPHA,4-ALPHA,6-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3-ALPHA,4-ALPHA,6-BETA)-TETRAHYDRO-4-(4-CHLOROPHENYL)-6-METHYL-3-PHENYL-2H-PYRAN-2-ONE.cml