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157360-02-6 | 5-Benzofuranol, 4,6-bis(1,1-dimethylethyl)-2,3-dihydro-2,2-dimethyl-
CAS No: 157360-02-6 Catalog No: AG001PFA MDL No:
Product Description
Catalog Number:
AG001PFA
Chemical Name:
5-Benzofuranol, 4,6-bis(1,1-dimethylethyl)-2,3-dihydro-2,2-dimethyl-
CAS Number:
157360-02-6
Molecular Formula:
C18H28O2
Molecular Weight:
276.4137
IUPAC Name:
4,6-ditert-butyl-2,2-dimethyl-3H-1-benzofuran-5-ol
InChI:
InChI=1S/C18H28O2/c1-16(2,3)12-9-13-11(10-18(7,8)20-13)14(15(12)19)17(4,5)6/h9,19H,10H2,1-8H3
InChI Key:
XZZFNPFTUFXNRE-UHFFFAOYSA-N
SMILES:
Oc1c(c2CC(Oc2cc1C(C)(C)C)(C)C)C(C)(C)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.209g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.42g/mol
Monoisotopic Mass:
276.209g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| Design and synthesis of 4,6-di-tert-butyl-2,3-dihydro-5-benzofuranols as a novel series of antiatherogenic antioxidants. | Journal of medicinal chemistry 20030703 |
| Antioxidant action of 2,2,4,6-tetra-substituted 2,3-dihydro-5-hydroxybenzofuran against lipid peroxidation: effects of substituents and side chain. | Free radical research 20021101 |
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