C1CCOC(C1)OCCCC2(C3=CC=CC=C3CO2)C4=CC=C(C=C4)F
이름: 3-(4-fluorophenyl)-3-[3-(oxan-2-yloxy)propyl]-1H-2-benzofuran
SMILES: C1CCOC(C1)OCCCC2(C3=CC=CC=C3CO2)C4=CC=C(C=C4)F

Molecular Processing

Molecular formula
C22H25FO3
Molecular weight
356.44
Exact mass
356.1788
XLogP
4.92
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
97.19

Supplementary Information

InChIKey: XQIRDUFEBBLNHM-UHFFFAOYSA-N
동의어
SCHEMBL9721677XQIRDUFEBBLNHM-UHFFFAOYSA-N1-(4-fluorophenyl)-1,3-dihydro-1-[3-(tetrahydro-2H-pyran-2-yloxy)propyl]isobenzofuran
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