Name: (E)-(4′-{1-ethyl-1-[4-(3-ethyl-3-hydroxy-1-pentenyl)-3-methyl-phenyl]-propyl}-biphenyl-4-yl)acetic acid methyl ester
SMILES:
CCC(O)(/C=C/c1ccc(C(CC)(CC)c2ccc(-c3ccc(CC(=O)OC)cc3)cc2)cc1C)CCMolecular Processing
Molecular formula
C34H42O3
Molecular weight
498.71
Exact mass
498.3134
XLogP
8.05
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
37
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.382
Molar refractivity
154.7
Supplementary Information
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