59817-22-0
1-(2-HYDROXYPHENYL)-3-(3,4,5-TRIMETHOXYPHENYL)PROP-2-EN-1-ONE
Name1-(2-HYDROXYPHENYL)-3-(3,4,5-TRIMETHOXYPHENYL)PROP-2-EN-1-ONE
1Identification
【Name】
1-(2-HYDROXYPHENYL)-3-(3,4,5-TRIMETHOXYPHENYL)PROP-2-EN-1-ONE
【CAS】
【MDL】
MFCD00136246
【English Synonyms】
【Formula】
C18 H18 O5
【MolWeight】
314.335
【Inchi】
InChI=1S/C18H18O5/c1-21-16-10-12(11-17(22-2)18(16)23-3)8-9-15(20)13-6-4-5-7-14(13)19/h4-11,19H,1-3H3/b9-8+
【InChIKey】
InChIKey=SRSBUHVXNLHWHU-CMDGGOBGSA-N
【SMILES】
COc1cc(cc(c1OC)OC)/C=C/C(=O)c2ccccc2O
【MOL File】
1-(2-HYDROXYPHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-HYDROXYPHENYL)-3-(3,4,5-TRIMETHOXYPHENYL)PROP-2-EN-1-ONE.cml