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548443-20-5 | 1-Isoquinolineethanol, 1,2,3,4-tetrahydro-6,7-dimethoxy-a-phenyl-,(aR,1R)-rel-
CAS No: 548443-20-5 Catalog No: AG00I9SM MDL No:
Product Description
Catalog Number:
AG00I9SM
Chemical Name:
1-Isoquinolineethanol, 1,2,3,4-tetrahydro-6,7-dimethoxy-a-phenyl-,(aR,1R)-rel-
CAS Number:
548443-20-5
Molecular Formula:
C19H23NO3
Molecular Weight:
313.3908
IUPAC Name:
(1R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-phenylethanol
InChI:
InChI=1S/C19H23NO3/c1-22-18-10-14-8-9-20-16(15(14)11-19(18)23-2)12-17(21)13-6-4-3-5-7-13/h3-7,10-11,16-17,20-21H,8-9,12H2,1-2H3/t16-,17-/m1/s1
InChI Key:
YCFTZQSGANFCHN-IAGOWNOFSA-N
SMILES:
COc1cc2[C@H](NCCc2cc1OC)C[C@H](c1ccccc1)O
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
313.168g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.397g/mol
Monoisotopic Mass:
313.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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