Chem 24 Ditertiary Butyl Phenol Pacific

Compound 132
  CheckMol                        TMF02:r0:m0
MF=C14H22O MW=206.33
 15 15  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4949   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2814   -2.2424   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3288   -2.2305   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2695   -3.7373   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5746   -1.4830   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3407   -3.7254   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0475   -4.4729   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.8152   -0.1661   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8678   -0.7237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3102   -2.7763   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0593   -5.9678   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4356   -5.9559   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0712   -7.4627   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5780   -5.9559   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  3  6  1  0  0  0  0
  4  7 02  0  1  0  0
  5  8 02  0  1  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  7  8 01  0  1  0  0
M  END

2,4 Ditertiary Butyl Phenol

₹ 0.00 0.00

Chemical Name - 2,4 Ditertiary Butyl Phenol
Mol Weight - 206.328
Smiles - CC(C)(C)c(cc1)cc(C(C)(C)C)c1O

Property Name	Property Value
Mol Name	2,4 Ditertiary Butyl Phenol
Molweight	206.328
Monoisotopic Mass	206.167065
Clogp	4.4777
Clogs	-3.64
H Acceptors	1
H Donors	1
Total Surface Area	173.99
Relative Psa	0.075292
Polar Surface Area	20.23
Druglikeness	-5.276
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.46667
Molecular Flexibility	0.55083
Molecular Complexity	0.626
Fragments	1
Non H Atoms	15
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	9
Symmetric Atoms	4
Smiles	CC(C)(C)c(cc1)cc(C(C)(C)C)c1O
InChIKey	InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
InChI	ICKWICRCANNIBI-UHFFFAOYSA-N

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2,4 Ditertiary Butyl Phenol