Marvin  11040509062D          

 10 10  0  0  0  0            999 V2000
   -0.5582    1.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5582    0.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8707    0.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8707    1.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1562    1.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1562    2.3063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1562   -0.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5582   -1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1562   -0.9938    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8707   -1.4063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  4  2  0  0  0  0
  1  2  2  0  0  0  0
  2  7  1  0  0  0  0
  7  3  2  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <ID>
CHEBI:31042

> <NAME>
4-(1-hydroxyethyl)phenol

> <DEFINITION>
A member of the class of phenols that is phenol substituted by a 1-hydroxyethyl group at position 4.

> <STAR>
3

> <SYNONYM>
4-Hydroxy-alpha-methylbenzyl alcohol; 4-Hydroxy-alpha-methyl-benzenemethanol; 4-(1-Hydroxyethyl)phenol; 1-(4'-Hydroxyphenyl)ethanol

> <IUPAC_NAME>
4-(1-hydroxyethyl)phenol

> <FORMULA>
C8H10O2

> <MASS>
138.16380

> <MONOISOTOPIC_MASS>
138.06808

> <CHARGE>
0

> <SMILES>
CC(O)c1ccc(O)cc1

> <INCHI>
InChI=1S/C8H10O2/c1-6(9)7-2-4-8(10)5-3-7/h2-6,9-10H,1H3

> <INCHIKEY>
PMRFBLQVGJNGLU-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2380-91-8

> <REAXYS_REGISTRY_NUMBER>
2206157

> <CHEMIDPLUS>
2380-91-8

> <KEGG_COMPOUND_ACCESSION>
C13638

$$$$