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16164-60-6 | 2-Pyridineethanol, α-ethyl-α-(4-methoxyphenyl)-β-phenyl-, (αS,βS)-
CAS No: 16164-60-6 Catalog No: AG001VRK MDL No:
Product Description
Catalog Number:
AG001VRK
Chemical Name:
2-Pyridineethanol, α-ethyl-α-(4-methoxyphenyl)-β-phenyl-, (αS,βS)-
CAS Number:
16164-60-6
Molecular Formula:
C22H23NO2
Molecular Weight:
333.4235
IUPAC Name:
2-(4-methoxyphenyl)-1-phenyl-1-pyridin-2-ylbutan-2-ol
InChI:
InChI=1S/C22H23NO2/c1-3-22(24,18-12-14-19(25-2)15-13-18)21(17-9-5-4-6-10-17)20-11-7-8-16-23-20/h4-16,21,24H,3H2,1-2H3
InChI Key:
AAIGFEFEYXEACA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)[C@@]([C@H](c1ccccn1)c1ccccc1)(CC)O
NSC Number:
24238
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.173g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.431g/mol
Monoisotopic Mass:
333.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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