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80853-95-8 | Benzene,1-[[2-(3,4-diethoxyphenyl)-2-methylpropoxy]methyl]-3-phenoxy-
CAS No: 80853-95-8 Catalog No: AG005IOC MDL No:
Product Description
Catalog Number:
AG005IOC
Chemical Name:
Benzene,1-[[2-(3,4-diethoxyphenyl)-2-methylpropoxy]methyl]-3-phenoxy-
CAS Number:
80853-95-8
Molecular Formula:
C27H32O4
Molecular Weight:
420.5406
IUPAC Name:
1,2-diethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
InChI:
InChI=1S/C27H32O4/c1-5-29-25-16-15-22(18-26(25)30-6-2)27(3,4)20-28-19-21-11-10-14-24(17-21)31-23-12-8-7-9-13-23/h7-18H,5-6,19-20H2,1-4H3
InChI Key:
ZWKJJLXFUXQUQH-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1OCC)C(COCc1cccc(c1)Oc1ccccc1)(C)C
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.23g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.549g/mol
Monoisotopic Mass:
420.23g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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