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80853-90-3 | 1-((2-(4-(1-METHYLVINYL)PHENYL)-2-METHYLPROPOXY)METHYL)-3-PHENOXYBEN ZENE
CAS No: 80853-90-3 Catalog No: AG00516L MDL No:
Product Description
Catalog Number:
AG00516L
Chemical Name:
1-((2-(4-(1-METHYLVINYL)PHENYL)-2-METHYLPROPOXY)METHYL)-3-PHENOXYBEN ZENE
CAS Number:
80853-90-3
Molecular Formula:
C26H28O2
Molecular Weight:
372.4993
IUPAC Name:
1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-prop-1-en-2-ylbenzene
InChI:
InChI=1S/C26H28O2/c1-20(2)22-13-15-23(16-14-22)26(3,4)19-27-18-21-9-8-12-25(17-21)28-24-10-6-5-7-11-24/h5-17H,1,18-19H2,2-4H3
InChI Key:
LINWNNQVNTVMSD-UHFFFAOYSA-N
SMILES:
CC(=C)c1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.209g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.508g/mol
Monoisotopic Mass:
372.209g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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