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1218900-66-3

1218900-66-3 | 2-Propen-1-one, 1-[2-hydroxy-4-(phenylmethoxy)phenyl]-3-(2-methoxy-4-methylphenyl)-

CAS No: 1218900-66-3 Catalog No: AG0016C9 MDL No:MFCD18071028

Product Description

Catalog Number:
AG0016C9
Chemical Name:
2-Propen-1-one, 1-[2-hydroxy-4-(phenylmethoxy)phenyl]-3-(2-methoxy-4-methylphenyl)-
CAS Number:
1218900-66-3
Molecular Formula:
C24H22O4
Molecular Weight:
374.4291
MDL Number:
MFCD18071028
IUPAC Name:
(E)-1-(2-hydroxy-4-phenylmethoxyphenyl)-3-(2-methoxy-4-methylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C24H22O4/c1-17-8-9-19(24(14-17)27-2)10-13-22(25)21-12-11-20(15-23(21)26)28-16-18-6-4-3-5-7-18/h3-15,26H,16H2,1-2H3/b13-10+
InChI Key:
DYJRUULHFSTCQA-JLHYYAGUSA-N
SMILES:
COc1cc(C)ccc1C=CC(=O)c1ccc(cc1O)OCc1ccccc1

Properties

Complexity:
511  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
374.152g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
374.436g/mol
Monoisotopic Mass:
374.152g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  

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