5-(Bis-benzyl)ethanone-2,4-bis(phenylmethoxy)anisole - CAS 1346602-80-9
Catalog: |
BB073253 |
Product Name: |
5-(Bis-benzyl)ethanone-2,4-bis(phenylmethoxy)anisole |
CAS: |
1346602-80-9 |
Synonyms: |
5-(Bis-benzyl)ethanone-2,4-bis(phenylmethoxy)anisole; 2-benzyl-1-[5-methoxy-2,4-bis(phenylmethoxy)phenyl]-3-phenylpropan-1-one |
IUPAC Name: | 2-benzyl-1-[5-methoxy-2,4-bis(phenylmethoxy)phenyl]-3-phenylpropan-1-one |
Description: | Intermediate in the synthesis of Glycitein (G635400). |
Molecular Weight: | 542.66 |
Molecular Formula: | C37H34O4 |
Canonical SMILES: | COC1=C(C=C(C(=C1)C(=O)C(CC2=CC=CC=C2)CC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5 |
InChI: | InChI=1S/C37H34O4/c1-39-35-24-33(37(38)32(22-28-14-6-2-7-15-28)23-29-16-8-3-9-17-29)34(40-26-30-18-10-4-11-19-30)25-36(35)41-27-31-20-12-5-13-21-31/h2-21,24-25,32H,22-23,26-27H2,1H3 |
InChI Key: | UJAMPNAOHMKELN-UHFFFAOYSA-N |
Solubility: | Dichloromethane |
Appearance: | Off-White Solid |
Complexity: | 709 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 542.24570956 |
Formal Charge: | 0 |
Heavy Atom Count: | 41 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 542.24570956 |
Rotatable Bond Count: | 13 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 8.4 |
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