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30748-85-7 | Phenol, 2,4,6-tris(1-methyl-1-phenylethyl)-
CAS No: 30748-85-7 Catalog No: AG003144 MDL No:
Product Description
Catalog Number:
AG003144
Chemical Name:
Phenol, 2,4,6-tris(1-methyl-1-phenylethyl)-
CAS Number:
30748-85-7
Molecular Formula:
C33H36O
Molecular Weight:
448.6383
IUPAC Name:
2,4,6-tris(2-phenylpropan-2-yl)phenol
InChI:
InChI=1S/C33H36O/c1-31(2,24-16-10-7-11-17-24)27-22-28(32(3,4)25-18-12-8-13-19-25)30(34)29(23-27)33(5,6)26-20-14-9-15-21-26/h7-23,34H,1-6H3
InChI Key:
CEHYZIXIKLSACQ-UHFFFAOYSA-N
SMILES:
Oc1c(cc(cc1C(c1ccccc1)(C)C)C(c1ccccc1)(C)C)C(c1ccccc1)(C)C
EC Number:
250-325-9
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.277g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
448.65g/mol
Monoisotopic Mass:
448.277g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10
Literature
| Title | Journal |
|---|---|
| Discovery of novel SERCA inhibitors by virtual screening of a large compound library. | European journal of medicinal chemistry 20110501 |
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