Name: 1-(3-tert-butyl-5-hydroxy-4-methoxyphenyl)ethanone
SMILES:
COc1c(O)cc(C(C)=O)cc1C(C)(C)CMolecular Processing
Molecular formula
C13H18O3
Molecular weight
222.28
Exact mass
222.1256
XLogP
2.9
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
63.36
Supplementary Information
Details werden geladen…
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