Ketcher 07161601192D 1   1.00000     0.00000     0

 13 14  0     0  0            999 V2000
   12.1690  -24.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3029  -24.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4369  -24.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4369  -23.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3029  -22.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1690  -23.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0350  -22.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5709  -24.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8389  -24.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7049  -24.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5709  -25.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7049  -26.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8389  -25.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  8  1  0     0  0
  6  1  2  0     0  0
  6  5  1  0     0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  6  7  1  0     0  0
 10  8  2  0     0  0
  8 11  1  0     0  0
 13  9  2  0     0  0
  9 10  1  0     0  0
 11 12  2  0     0  0
 13 12  1  0     0  0
M  END
> <ID>
CHEBI:34422

> <NAME>
biphenyl-4-ol

> <DEFINITION>
A member of the class of hydroxybiphenyls that is biphenyl carrying a hydroxy group at position 4.

> <STAR>
3

> <SYNONYM>
para-phenylphenol; para-hydroxydiphenyl; p-phenylphenol; p-hydroxydiphenyl; p-hydroxybiphenyl; p-biphenylol; 4-Phenylphenol; 4-hydroxydiphenyl; 4-Hydroxybiphenyl; 4-diphenylol; 4-biphenylol

> <IUPAC_NAME>
[1,1'-biphenyl]-4-ol

> <FORMULA>
C12H10O; C12H10O

> <MASS>
170.208

> <MONOISOTOPIC_MASS>
170.07316

> <CHARGE>
0

> <SMILES>
C1=C(C=CC(C2=CC=CC=C2)=C1)O

> <INCHI>
InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H

> <INCHIKEY>
YXVFYQXJAXKLAK-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
92-69-3

> <REAXYS_REGISTRY_NUMBER>
1907452

> <CHEMIDPLUS>
92-69-3

> <KEGG_COMPOUND_ACCESSION>
C14224

> <NIST_CHEMISTRY_WEBBOOK>
92-69-3

> <PUBMED_CITATION>
23491025; 24519828

$$$$