Name: 4-hydroxy-6-[2-(2-hydroxymethyl-phenyl)-ethyl]-6-isopropyl-5,6-dihydro-pyran-2-one
SMILES:
CC(C)C1(CCc2ccccc2CO)CC(O)=CC(=O)O1Molecular Processing
Molecular formula
C17H22O4
Molecular weight
290.36
Exact mass
290.1518
XLogP
2.9
TPSA
66.76
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
79.68
Supplementary Information
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