202917-21-3
3-PYRIDINEMETHANOL, 5-ETHYL-4-(4-FLUORO-2-HYDROXYPHENYL)-ALPHA-METHYL-2,6-BIS(1-METHYLETHYL)-, (ALPHAR,4R)-REL-
Name3-PYRIDINEMETHANOL, 5-ETHYL-4-(4-FLUORO-2-HYDROXYPHENYL)-ALPHA-METHYL-2,6-BIS(1-METHYLETHYL)-, (ALPHAR,4R)-REL-
1Identification
【Name】
3-PYRIDINEMETHANOL, 5-ETHYL-4-(4-FLUORO-2-HYDROXYPHENYL)-ALPHA-METHYL-2,6-BIS(1-METHYLETHYL)-, (ALPHAR,4R)-REL-
【CAS】
【MDL】
MFCD11616245
【English Synonyms】
【Formula】
C21 H30 F N O2
【MolWeight】
347.471
【Inchi】
InChI=1S/C21H30FNO2/c1-7-15-19(16-9-8-14(22)10-17(16)25)18(13(6)24)21(12(4)5)23-20(15)11(2)3/h8-13,19,23-25H,7H2,1-6H3/t13-,19+/m1/s1
【InChIKey】
InChIKey=DFUMBTGBUROVGN-YJYMSZOUSA-N
【SMILES】
CCC1=C(NC(=C([C@@H]1c2ccc(cc2O)F)[C@@H](C)O)C(C)C)C(C)C
【MOL File】
3-PYRIDINEMETHANOL, ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-PYRIDINEMETHANOL, 5-ETHYL-4-(4-FLUORO-2-HYDROXYPHENYL)-ALPHA-METHYL-2,6-BIS(1-METHYLETHYL)-, (ALPHAR,4R)-REL-.cml