An official website of the United States government

CID 28195534

PubChem CID
28195534
Structure
CID 28195534_small.png
Molecular Formula
Status
Non-live
Molecular Weight
287.29 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 28195534.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-methoxy-3-[(4-methoxyphenyl)methoxy]benzoate

2.1.2 InChI

InChI=1S/C16H16O5/c1-19-13-6-3-11(4-7-13)10-21-15-9-12(16(17)18)5-8-14(15)20-2/h3-9H,10H2,1-2H3,(H,17,18)/p-1

2.1.3 InChIKey

MEIXINRODAYNSE-UHFFFAOYSA-M

2.1.4 SMILES

COC1=CC=C(C=C1)COC2=C(C=CC(=C2)C(=O)[O-])OC

2.2 Molecular Formula

C16H15O5-

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
287.29 g/mol
Property Name
XLogP3
Property Value
3.7
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
287.09194857 g/mol
Property Name
Monoisotopic Mass
Property Value
287.09194857 g/mol
Property Name
Topological Polar Surface Area
Property Value
67.8 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
319
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS