Ketcher 08191915252D 1   1.00000     0.00000     0

 11 11  0     0  0            999 V2000
   -0.9043    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0397    0.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0476   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8249    0.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8171   -1.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6896    0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8091   -2.4572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6816   -0.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5543    0.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4188    0.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2835    0.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  2  4  1  0     0  0
  3  5  1  0     0  0
  4  6  2  0     0  0
  5  7  1  0     0  0
  5  8  2  0     0  0
  6  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
  6  8  1  0     0  0
M  END
> <ID>
CHEBI:144241

> <NAME>
divarinol

> <DEFINITION>
A 5-alkylresorcinol in which the alkyl group is specified as propyl.

> <STAR>
3

> <SYNONYM>
divarin; 5-propylresorcinol; 5-propyl-1,3-benzenediol; 1,3-dihydroxy-5-propylbenzene

> <IUPAC_NAME>
5-propylbenzene-1,3-diol

> <FORMULA>
C9H12O2

> <MASS>
152.193

> <MONOISOTOPIC_MASS>
152.08373

> <CHARGE>
0

> <SMILES>
OC1=CC(O)=CC(=C1)CCC

> <INCHI>
InChI=1S/C9H12O2/c1-2-3-7-4-8(10)6-9(11)5-7/h4-6,10-11H,2-3H2,1H3

> <INCHIKEY>
FRNQLQRBNSSJBK-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
500-49-2

> <CHEMIDPLUS>
500-49-2

> <PUBMED_CITATION>
18058986; 24271446; 31339381

$$$$