sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 3-(4-Methoxyphenyl)-2-phenylpropanoic acid

3-(4-Methoxyphenyl)-2-phenylpropanoic acid

CAS No.:
4314-68-5
Catalog Number:
AG003I4U
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$324
- +
5g
1 week
United States
$1150
- +
10g
1 week
United States
$2216
- +
Product Description
Catalog Number:
AG003I4U
Chemical Name:
3-(4-Methoxyphenyl)-2-phenylpropanoic acid
CAS Number:
4314-68-5
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
MDL Number:
MFCD00046532
IUPAC Name:
3-(4-methoxyphenyl)-2-phenylpropanoic acid
InChI:
InChI=1S/C16H16O3/c1-19-14-9-7-12(8-10-14)11-15(16(17)18)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,17,18)
InChI Key:
GIROORGDVPRQFZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC(c1ccccc1)C(=O)O
EC Number:
224-332-2
NSC Number:
33136
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening. Journal of medicinal chemistry 20040506
Properties