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80854-05-3 | Benzene,1-[[2-(4-ethoxyphenyl)-2-methylbutoxy]methyl]-3-phenoxy-
CAS No: 80854-05-3 Catalog No: AG00516I MDL No:
Product Description
Catalog Number:
AG00516I
Chemical Name:
Benzene,1-[[2-(4-ethoxyphenyl)-2-methylbutoxy]methyl]-3-phenoxy-
CAS Number:
80854-05-3
Molecular Formula:
C26H30O3
Molecular Weight:
390.5146
IUPAC Name:
1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene
InChI:
InChI=1S/C26H30O3/c1-4-26(3,22-14-16-23(17-15-22)28-5-2)20-27-19-21-10-9-13-25(18-21)29-24-11-7-6-8-12-24/h6-18H,4-5,19-20H2,1-3H3
InChI Key:
GYISLIQJPVSSJB-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(CC)C
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.219g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.523g/mol
Monoisotopic Mass:
390.219g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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