524746-06-3
4-[(4-ETHYL-3,5-DIMETHYL-2H-PYRROL-2-YLIDENE)METHYL]-PHENOL
Name4-[(4-ETHYL-3,5-DIMETHYL-2H-PYRROL-2-YLIDENE)METHYL]-PHENOL
1Identification
【Name】
4-[(4-ETHYL-3,5-DIMETHYL-2H-PYRROL-2-YLIDENE)METHYL]-PHENOL
【CAS】
【MDL】
MFCD18835977
【English Synonyms】
【Formula】
C15 H17 N O
【MolWeight】
227.305
【Inchi】
InChI=1S/C15H17NO/c1-4-14-10(2)15(16-11(14)3)9-12-5-7-13(17)8-6-12/h5-9,17H,4H2,1-3H3/b15-9-
【InChIKey】
InChIKey=HCGSNSFXQIWHPR-DHDCSXOGSA-N
【SMILES】
CCC1=C(/C(=C/c2ccc(cc2)O)/N=C1C)C
【MOL File】
4-[(4-ETHYL-3,5-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[(4-ETHYL-3,5-DIMETHYL-2H-PYRROL-2-YLIDENE)METHYL]-PHENOL.cml