Ketcher 01082110432D 1   1.00000     0.00000     0

 10 10  0     0  0            999 V2000
   17.0017  -21.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8679  -20.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7339  -21.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7339  -22.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0017  -22.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8678  -22.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0019  -24.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8678  -23.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7338  -24.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8679  -19.5190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0     0  0
  5  6  2  0     0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  6  1  0     0  0
  6  8  1  0     0  0
  8  7  1  0     0  0
  8  9  1  0     0  0
  2 10  1  0     0  0
M  END
> <ID>
CHEBI:167172

> <NAME>
4-isopropylphenol

> <DEFINITION>
A member of the class of phenols that is phenol which is carrying an isopropyl group at position 4.

> <STAR>
3

> <SYNONYM>
p-isopropylphenol; p-hydroxycumene; p-cumenol; 4-isopropylphenol; 4-hydroxycumene; 4-(1-methylethyl)phenol; 1-hydroxy-4-isopropylbenzene

> <IUPAC_NAME>
4-(propan-2-yl)phenol

> <FORMULA>
C9H12O

> <MASS>
136.194

> <MONOISOTOPIC_MASS>
136.08882

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3

> <INCHIKEY>
YQUQWHNMBPIWGK-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
99-89-8

> <REAXYS_REGISTRY_NUMBER>
1363564

> <CHEMIDPLUS>
99-89-8

> <NIST_CHEMISTRY_WEBBOOK>
99-89-8

> <PUBMED_CITATION>
16567400; 26219367; 27486708; 29225186; 30519707; 32970353

$$$$