名称: 5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
SMILES:
CC(C)C1=C(C=CC2=C1OCCO2)OMolecular Processing
Molecular formula
C11H14O3
Molecular weight
194.23
Exact mass
194.0943
XLogP
2.29
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
53.19
Supplementary Information
InChIKey: WLLDMWPJZAUMOI-UHFFFAOYSA-N
同義語
1,4-Benzodioxin-6-ol, 2,3-dihydro-5-(1-methylethyl)-SCHEMBL1494021WLLDMWPJZAUMOI-UHFFFAOYSA-N5-isopropyl-6 hydroxy-2,3-dihydro-benzo[1,4]dioxine5-isopropyl-6hydroxy-2,3-dihydro-benzo[1,4]dioxine
5 件の反応に参加→