(±)-Dihydro-4-[[3-methoxy-4-(phenylmethoxy)phenyl]methyl]-2(3H)-furanone - CAS 92831-74-8
Catalog: |
BB067673 |
Product Name: |
(±)-Dihydro-4-[[3-methoxy-4-(phenylmethoxy)phenyl]methyl]-2(3H)-furanone |
CAS: |
92831-74-8 |
Synonyms: |
Dihydro-4-[[3-methoxy-4-(phenylmethoxy)phenyl]methyl]-2(3H)-furanone |
IUPAC Name: | 4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxolan-2-one |
Description: | Used in the preparation of many biologically active ligands. |
Molecular Weight: | 312.36 |
Molecular Formula: | C19H20O4 |
Canonical SMILES: | COC1=C(C=CC(=C1)CC2CC(=O)OC2)OCC3=CC=CC=C3 |
InChI: | InChI=1S/C19H20O4/c1-21-18-10-15(9-16-11-19(20)23-13-16)7-8-17(18)22-12-14-5-3-2-4-6-14/h2-8,10,16H,9,11-13H2,1H3 |
InChI Key: | FKRJBUYHQOXRCE-UHFFFAOYSA-N |
Appearance: | White Solid |
References: | Khamlach, M. et al.; Tetrahedron 48, 10115 (1992). |
Complexity: | 378 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 312.13615911 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 312.13615911 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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