Nom: 2-ethyl-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)butan-1-one
SMILES:
CCC(CC)C(=O)c1oc2ccc(OC)cc2c1CMolecular Processing
Molecular formula
C16H20O3
Molecular weight
260.33
Exact mass
260.1412
XLogP
4.37
TPSA
39.44
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
75.91
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→