Name: 3-hydroxy-2-propionyl-4-(4-methylphenyl)cyclohex-2-ene-1-one
SMILES:
CCC(=O)C1=C(O)C(c2ccc(C)cc2)CCC1=OMolecular Processing
Molecular formula
C16H18O3
Molecular weight
258.32
Exact mass
258.1256
XLogP
3.23
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
73.11
Supplementary Information
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