1-[4-(Benzyloxy)-3,5-dimethoxyphenyl]-2-(2-methoxyphenoxy)-1,3-propanediol - CAS 535967-76-1
Catalog: |
BB028285 |
Product Name: |
1-[4-(Benzyloxy)-3,5-dimethoxyphenyl]-2-(2-methoxyphenoxy)-1,3-propanediol |
CAS: |
535967-76-1 |
Synonyms: |
1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol; 1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol |
IUPAC Name: | 1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol |
Description: | 1-[4-(Benzyloxy)-3,5-dimethoxyphenyl]-2-(2-methoxyphenoxy)-1,3-propanediol (CAS# 535967-76-1 ) is a useful research chemical. |
Molecular Weight: | 440.49 |
Molecular Formula: | C25H28O7 |
Canonical SMILES: | COC1=CC=CC=C1OC(CO)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)O |
InChI: | InChI=1S/C25H28O7/c1-28-19-11-7-8-12-20(19)32-23(15-26)24(27)18-13-21(29-2)25(22(14-18)30-3)31-16-17-9-5-4-6-10-17/h4-14,23-24,26-27H,15-16H2,1-3H3 |
InChI Key: | ASSCYVPPKXZCNQ-UHFFFAOYSA-N |
LogP: | 3.76470 |
Publication Number | Title | Priority Date |
US-10287226-B2 | Mild catalytic reduction of Câ€"O bonds and Câ•?O bonds using a recyclable catalyst system | 20141030 |
US-2017334819-A1 | A mild catalytic reduction of c-o bonds and c=o bonds using a recyclable catalyst system | 20141030 |
Complexity: | 499 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 440.18350323 |
Formal Charge: | 0 |
Heavy Atom Count: | 32 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 440.18350323 |
Rotatable Bond Count: | 11 |
Topological Polar Surface Area: | 86.6 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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