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80853-98-1 | Benzene,1-[[2-(4-ethynylphenyl)-2-methylpropoxy]methyl]-3-phenoxy-
CAS No: 80853-98-1 Catalog No: AG00516K MDL No:
Product Description
Catalog Number:
AG00516K
Chemical Name:
Benzene,1-[[2-(4-ethynylphenyl)-2-methylpropoxy]methyl]-3-phenoxy-
CAS Number:
80853-98-1
Molecular Formula:
C25H24O2
Molecular Weight:
356.4569
IUPAC Name:
1-ethynyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
InChI:
InChI=1S/C25H24O2/c1-4-20-13-15-22(16-14-20)25(2,3)19-26-18-21-9-8-12-24(17-21)27-23-10-6-5-7-11-23/h1,5-17H,18-19H2,2-3H3
InChI Key:
NHYPFBKLMXOBFS-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.178g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.465g/mol
Monoisotopic Mass:
356.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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