Name: (2S)-4-[2-(benzyloxy)-3-methoxyphenyl]-1,2-butanediol
SMILES:
COc1cccc(CC[C@H](O)CO)c1OCc1ccccc1Molecular Processing
Molecular formula
C18H22O4
Molecular weight
302.37
Exact mass
302.1518
XLogP
2.56
TPSA
58.92
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
85.18
Supplementary Information
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