Chem 24 Ditertiary Butyl Phenol Pacific | Cheminformatics
2D Structure

2,4 Ditertiary Butyl Phenol


  • SKU Code: CH139115
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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 Name2,4 Ditertiary Butyl Phenol
Molweight206.328
Monoisotopic Mass206.167065
Clogp4.4777
Clogs-3.64
H Acceptors1
H Donors1
Total Surface Area173.99
Relative Psa0.075292
Polar Surface Area20.23
Druglikeness-5.276
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.46667
Molecular Flexibility0.55083
Molecular Complexity0.626
Fragments1
Non H Atoms15
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds2
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms9
Symmetric Atoms4
SmilesCC(C)(C)c(cc1)cc(C(C)(C)C)c1O
InChIKeyInChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
InChIICKWICRCANNIBI-UHFFFAOYSA-N

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