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1484-91-9 | Phenol, 4-[2-[(2R,6S)-tetrahydro-6-(4-methoxyphenyl)-2H-pyran-2-yl]ethyl]-, rel-
CAS No: 1484-91-9 Catalog No: AG001KWJ MDL No:
Product Description
Catalog Number:
AG001KWJ
Chemical Name:
Phenol, 4-[2-[(2R,6S)-tetrahydro-6-(4-methoxyphenyl)-2H-pyran-2-yl]ethyl]-, rel-
CAS Number:
1484-91-9
Molecular Formula:
C20H24O3
Molecular Weight:
312.4028
IUPAC Name:
4-[2-[(2R,6S)-6-(4-methoxyphenyl)oxan-2-yl]ethyl]phenol
InChI:
InChI=1S/C20H24O3/c1-22-18-13-8-16(9-14-18)20-4-2-3-19(23-20)12-7-15-5-10-17(21)11-6-15/h5-6,8-11,13-14,19-21H,2-4,7,12H2,1H3/t19-,20+/m1/s1
InChI Key:
VKLGDLFSGNHXAV-UXHICEINSA-N
SMILES:
COc1ccc(cc1)[C@@H]1CCC[C@@H](O1)CCc1ccc(cc1)O
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
312.173g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.409g/mol
Monoisotopic Mass:
312.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Pd-catalyzed arylation reactions with phenol diazonium salts: application in the synthesis of diarylheptanoids. | The Journal of organic chemistry 20110506 |
| Intramolecular hydroalkoxylation in Brønsted acidic ionic liquids and its application to the synthesis of (±)-centrolobine. | Organic & biomolecular chemistry 20110121 |
| Functionalized alkoxy arene diazonium salts from paracetamol. | Organic & biomolecular chemistry 20100321 |
| Prins cyclizations in silyl additives with suppression of epimerization: versatile tool in the synthesis of the tetrahydropyran backbone of natural products. | Organic letters 20050929 |
| Stereoselective construction of cis-2,6-disubstituted tetrahydropyrans via the reductive etherification of delta-trialkylsilyloxy substituted ketones: total synthesis of (-)-centrolobine. | Organic letters 20031016 |
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