
 4-Hydroxypropranolol

 41 42  0  0  0  0  0  0  0  0999 V2000
    0.6427    1.4510   -3.2144 C   0  0  0  0  0
    2.1096    1.8879   -3.2679 C   0  0  0  0  0
    2.2153    3.2268   -4.0003 C   0  0  0  0  0
    2.6036    1.9514   -1.8885 N   0  0  0  0  0
    4.0299    2.2751   -1.7741 C   0  0  0  0  0
    4.5314    2.2715   -0.3119 C   0  0  0  0  0
    3.9405    3.3912    0.5640 C   0  0  0  0  0
    2.5592    3.1169    0.8141 O   0  0  0  0  0
    1.8233    4.0519    1.5005 C   0  0  0  0  0
    2.3866    5.1388    2.1765 C   0  0  0  0  0
    1.5768    6.0215    2.8890 C   0  0  0  0  0
    0.2001    5.8162    2.9314 C   0  0  0  0  0
   -0.4030    4.7375    2.2574 C   0  0  0  0  0
   -1.7972    4.5197    2.2887 C   0  0  0  0  0
   -2.3826    3.4502    1.6125 C   0  0  0  0  0
   -1.5849    2.5765    0.8867 C   0  0  0  0  0
   -0.2029    2.7720    0.8453 C   0  0  0  0  0
    0.4186    3.8429    1.5270 C   0  0  0  0  0
   -0.5853    6.6831    3.6479 O   0  0  0  0  0
    4.2563    0.9955    0.2862 O   0  0  0  0  0
    0.5364    0.4776   -2.7223 H   0  0  0  0  0
    0.2286    1.3567   -4.2241 H   0  0  0  0  0
    0.0284    2.1753   -2.6663 H   0  0  0  0  0
    2.6703    1.1279   -3.8258 H   0  0  0  0  0
    1.7457    4.0346   -3.4280 H   0  0  0  0  0
    1.7181    3.1747   -4.9752 H   0  0  0  0  0
    3.2580    3.5017   -4.1877 H   0  0  0  0  0
    2.4533    1.0460   -1.4408 H   0  0  0  0  0
    4.2457    3.2582   -2.2045 H   0  0  0  0  0
    4.6022    1.5236   -2.3319 H   0  0  0  0  0
    5.6212    2.3883   -0.3324 H   0  0  0  0  0
    4.0654    4.3602    0.0667 H   0  0  0  0  0
    4.4723    3.3875    1.5230 H   0  0  0  0  0
    3.4559    5.3194    2.1782 H   0  0  0  0  0
    2.0368    6.8568    3.4078 H   0  0  0  0  0
   -2.4381    5.1976    2.8494 H   0  0  0  0  0
   -3.4583    3.3054    1.6516 H   0  0  0  0  0
   -2.0309    1.7444    0.3494 H   0  0  0  0  0
    0.3989    2.0794    0.2593 H   0  0  0  0  0
   -0.0169    7.3404    4.0798 H   0  0  0  0  0
    3.3306    1.0590    0.5947 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6 20  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 18  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 12 19  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 16  2  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 18  2  0  0  0
 17 39  1  0  0  0
 19 40  1  0  0  0
 20 41  1  0  0  0
M  END

>  <Chemical Name>
4-Hydroxypropranolol

>  <PubChem CID>
91565

>  <Formula>
C16H21NO3

>  <Molecular Weight>
275.348000

>  <IUPAC Name>
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol

>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)NCC(COC1=CC=C(C2=CC=CC=C21)O)O

>  <Isomeric SMILES>
CC(C)NCC(COC1=CC=C(C2=CC=CC=C21)O)O

>  <InChI Std. ID>
InChI=1S/C16H21NO3/c1-11(2)17-9-12(18)10-20-16-8-7-15(19)13-5-3-4-6-14(13)16/h3-8,11-12,17-19H,9-10H2,1-2H3

>  <InChI Key>
CWEPACWBWIOYID-UHFFFAOYSA-N

