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116519-00-7 | Phenol, 4-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-
CAS No: 116519-00-7 Catalog No: AG000CP3 MDL No:MFCD12405550
Product Description
Catalog Number:
AG000CP3
Chemical Name:
Phenol, 4-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-
CAS Number:
116519-00-7
Molecular Formula:
C17H18O4
Molecular Weight:
286.3224
MDL Number:
MFCD12405550
IUPAC Name:
4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
InChI:
InChI=1S/C17H18O4/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h4-11,18H,1-3H3/b5-4+
InChI Key:
PGNACKMMQGBVTN-SNAWJCMRSA-N
SMILES:
COc1cc(/C=C/c2ccc(cc2)O)cc(c1OC)OC
NSC Number:
613733
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
286.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.327g/mol
Monoisotopic Mass:
286.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Anticancer effects of the metabolic products of the resveratrol analogue, DMU-212: structural requirements for potency. | European journal of medicinal chemistry 20110601 |
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