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80854-00-8 | 1-((2-(4-(2-PROPYNYLOXY)PHENYL)-2-METHYLPROPOXY)METHYL)-3-PHENOXYBENZENE
CAS No: 80854-00-8 Catalog No: AG00516J MDL No:
Product Description
Catalog Number:
AG00516J
Chemical Name:
1-((2-(4-(2-PROPYNYLOXY)PHENYL)-2-METHYLPROPOXY)METHYL)-3-PHENOXYBENZENE
CAS Number:
80854-00-8
Molecular Formula:
C26H26O3
Molecular Weight:
386.4828
IUPAC Name:
1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-prop-2-ynoxybenzene
InChI:
InChI=1S/C26H26O3/c1-4-17-28-23-15-13-22(14-16-23)26(2,3)20-27-19-21-9-8-12-25(18-21)29-24-10-6-5-7-11-24/h1,5-16,18H,17,19-20H2,2-3H3
InChI Key:
OIQPCIOTCACSRQ-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.188g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.491g/mol
Monoisotopic Mass:
386.188g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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