Home > Compound List > Compound details
227947-06-0 molecular structure
click picture or here to close

3-(4-{2-[4-(3-chloro-2-hydroxypropoxy)phenyl]propan-2-yl}phenoxy)propane-1,2-diol

ChemBase ID: 156862
Molecular Formular: C21H27ClO5
Molecular Mass: 394.88908
Monoisotopic Mass: 394.15470164
SMILES and InChIs

SMILES:
CC(C)(c1ccc(cc1)OCC(CO)O)c1ccc(cc1)OCC(CCl)O
Canonical SMILES:
OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O
InChI:
InChI=1S/C21H27ClO5/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,23-25H,11-14H2,1-2H3
InChIKey:
HDTYUHNZRYZEEB-UHFFFAOYSA-N

Cite this record

CBID:156862 http://www.chembase.cn/molecule-156862.html

Collapse All Expand All

NAMES AND DATABASE IDS

DATA SOURCES

CALCULATED PROPERTIES

PROPERTIES

DETAILS

REFERENCES

PATENTS

INTERNET