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Home Other Building Blocks Benzenemethanol, α-ethynyl-4-methoxy-α-(4-methoxyphenyl)-

Benzenemethanol, α-ethynyl-4-methoxy-α-(4-methoxyphenyl)-

CAS No.:
101597-25-5
Catalog Number:
AG0004X5
Molecular Formula:
C17H16O3
Molecular Weight:
268.3071
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Product Description
Catalog Number:
AG0004X5
Chemical Name:
Benzenemethanol, α-ethynyl-4-methoxy-α-(4-methoxyphenyl)-
CAS Number:
101597-25-5
Molecular Formula:
C17H16O3
Molecular Weight:
268.3071
MDL Number:
MFCD00420323
IUPAC Name:
1,1-bis(4-methoxyphenyl)prop-2-yn-1-ol
InChI:
InChI=1S/C17H16O3/c1-4-17(18,13-5-9-15(19-2)10-6-13)14-7-11-16(20-3)12-8-14/h1,5-12,18H,2-3H3
InChI Key:
RFNDMLXNYMQMGN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(c1ccc(cc1)OC)(C#C)O
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.11g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.312g/mol
Monoisotopic Mass:
268.11g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Methyl 9-diethyl-amino-2,2-bis-(4-meth-oxy-phen-yl)-2H-benzo[h]chromene-5-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20110401
Properties