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157360-05-9

157360-05-9 | 5-Benzofuranol, 2,2-dibutyl-4,6-bis(1,1-dimethylethyl)-2,3-dihydro-

CAS No: 157360-05-9 Catalog No: AG001PF9 MDL No:

Product Description

Catalog Number:
AG001PF9
Chemical Name:
5-Benzofuranol, 2,2-dibutyl-4,6-bis(1,1-dimethylethyl)-2,3-dihydro-
CAS Number:
157360-05-9
Molecular Formula:
C24H40O2
Molecular Weight:
360.5732
IUPAC Name:
2,2-dibutyl-4,6-ditert-butyl-3H-1-benzofuran-5-ol
InChI:
InChI=1S/C24H40O2/c1-9-11-13-24(14-12-10-2)16-17-19(26-24)15-18(22(3,4)5)21(25)20(17)23(6,7)8/h15,25H,9-14,16H2,1-8H3
InChI Key:
UYJVQPVZUMEFJQ-UHFFFAOYSA-N
SMILES:
CCCCC1(CCCC)Oc2c(C1)c(c(c(c2)C(C)(C)C)O)C(C)(C)C

Properties

Complexity:
434  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.303g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
360.582g/mol
Monoisotopic Mass:
360.303g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4  

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

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