62465
  CDK     0910211424

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.5220    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0 
  1 11  1  0  0  0  0 
  2  8  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  2  0  0  0  0 
  3  6  1  0  0  0  0 
  4  9  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6 10  2  0  0  0  0 
  7  8  2  0  0  0  0 
  8 10  1  0  0  0  0 
M  END
> <ID>
CHEBI:179252

> <NAME>
4-Ethyl-2-methoxyphenol

> <STAR>
2

> <SYNONYM>
4-ethyl-2-methoxyphenol

> <IUPAC_NAME>
4-ethyl-2-methoxyphenol

> <FORMULA>
C9H12O2

> <MASS>
152.193

> <MONOISOTOPIC_MASS>
152.08373

> <CHARGE>
0

> <SMILES>
O(C=1C=C(CC)C=CC1O)C

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

> <INCHIKEY>
CHWNEIVBYREQRF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2785-89-9

> <CHEMIDPLUS>
2785-89-9

$$$$