CC1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2C(C)C)OC)I
Nom: 1-iodo-2-methoxy-5-(4-methylphenyl)sulfonyl-4-propan-2-ylbenzene
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2C(C)C)OC)I

Molecular Processing

Molecular formula
C17H19IO3S
Molecular weight
430.31
Exact mass
430.01
XLogP
4.56
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
96.43

Supplementary Information

InChIKey: JUQMFPDGJRLFKX-UHFFFAOYSA-N
Synonymes
SCHEMBL1494233JUQMFPDGJRLFKX-UHFFFAOYSA-N1-Iodo4-isopropyl-2-methoxy-5-(toluene4-sulfonyl)-benzene1-Iodo-4-isopropyl-2-methoxy-5-(toluene-4-sulfonyl)-benzene
Voir la source →
Impliqué dans 9 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→